Datasets:
PatSnap
/
chemical-structure

Dataset card Data Studio Files
xet
 Community
inchi
stringlengths
12
2.63k
inchi_key
stringlengths
27
27
isometric_smiles
stringlengths
2
3.5k
⌀
mol_formula
stringlengths
1
26
canonical_smiles
stringlengths
1
1.1k
⌀
iupac_name
stringlengths
5
1.3k
⌀
jchem_name
stringlengths
5
2.25k
⌀
classyfire_classification
stringlengths
185
2.81k
⌀
patent_count
stringlengths
8
804
⌀
compound_name
stringclasses
485 values
InChI=1S/C14H19N3O3/c15-8-1-2-10-20-12-5-3-11(4-6-12)17-9-7-13(18)16-14(17)19/h3-6H,1-2,7-10,15H2,(H,16,18,19)
AOHOWPSGMDIQDR-UHFFFAOYSA-N
C1CN(C(=O)NC1=O)C2=CC=C(C=C2)OCCCCN
C14H19N3O3
C1CN(C(=O)NC1=O)C2=CC=C(C=C2)OCCCCN
1-[4-(4-aminobutoxy)phenyl]-1,3-diazinane-2,4-dione
1-[4-(4-aminobutoxy)phenyl]-1,3-diazinane-2,4-dione
null
null
null
InChI=1S/C35H64N12O9S2/c1-20(42-31(53)22-10-7-15-39-22)29(51)45-26(13-18-58-4)32(54)43-21(2)28(50)44-24(11-8-16-40-35(37)38)34(56)46-23(9-5-6-14-36)33(55)47-25(12-17-57-3)30(52)41-19-27(48)49/h20-26,39H,5-19,36H2,1-4H3,(H,41,52)(H,42,53)(H,43,54)(H,44,50)(H,45,51)(H,46,56)(H,47,55)(H,48,49)(H4,37,38,40)/t20-,21-,22-,23...
AOHRTOLZGLHHEN-OLDNPOFQSA-N
CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)NCC(O)=O
C35H64N12O9S2
null
null
2-[(2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-4-(methylsulfanyl)-2-[(2S)-2-{[(2S)-pyrrolidin-2-yl]formamido}propanamido]butanamido]propanamido]pentanamido]hexanamido]-4-(methylsulfanyl)butanamido]acetic acid
null
null
null
InChI=1S/C12H13N7O2S2/c1-9-13-15-12(23-9)22-8-10-7-18(16-14-10)6-5-17-4-2-3-11(17)19(20)21/h2-4,7H,5-6,8H2,1H3
AOHSGXMNMBOHST-UHFFFAOYSA-N
CC1=NN=C(SCC2=CN(CCN3C=CC=C3[N](=O)=O)N=N2)S1
C12H13N7O2S2
CC1=NN=C(SCC2=CN(CCN3C=CC=C3N(=O)=O)N=N2)S1
null
2-methyl-5-[({1-[2-(2-nitro-1H-pyrrol-1-yl)ethyl]-1H-1,2,3-triazol-4-yl}methyl)sulfanyl]-1,3,4-thiadiazole
null
null
null
InChI=1S/C16H13ClF3NO2/c1-21(13-9-5-8-12(17)10-13)14(22)15(23,16(18,19)20)11-6-3-2-4-7-11/h2-10,23H,1H3
AOHVTLBHGVTGSI-UHFFFAOYSA-N
CN(C(=O)C(O)(C1=CC=CC=C1)C(F)(F)F)C1=CC(Cl)=CC=C1
C16H13ClF3NO2
null
null
N-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-N-methyl-2-phenylpropanamide
null
null
null
InChI=1S/C47H86N16O14/c1-25(2)22-27(50)39(69)58-28(10-5-7-19-48)41(71)61-32(13-16-35(51)64)45(75)63-34(23-26(3)4)40(70)56-24-37(66)57-31(15-18-38(67)68)44(74)59-29(11-6-8-20-49)42(72)60-30(12-9-21-55-47(53)54)43(73)62-33(46(76)77)14-17-36(52)65/h25-34H,5-24,48-50H2,1-4H3,(H2,51,64)(H2,52,65)(H,56,70)(H,57,66)(H,58,69)(...
AOHXSJDNLVXGBT-LGYYRGKSSA-N
CC(C)C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(O)=O
C47H86N16O14
null
null
(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-4-methylpentanamido]hexanamido]-4-carbamoylbutanamido]-4-methylpentanamido]acetamido}-4-carboxybutanamido]hexanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanoic acid
null
null
null
InChI=1S/C22H21F6N7O2/c23-13-2-1-3-14(24)20(13)37-11-18-31-29-17(30-32-18)8-12-4-6-34(7-5-12)19(36)10-35-16(22(27)28)9-15(33-35)21(25)26/h1-3,9,12,21-22H,4-8,10-11H2
AOHYZNUNDYIHQZ-UHFFFAOYSA-N
FC(F)C1=NN(CC(=O)N2CCC(CC3=NN=C(COC4=C(F)C=CC=C4F)N=N3)CC2)C(=C1)C(F)F
C22H21F6N7O2
null
null
2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]-1-[4-({6-[(2,6-difluorophenoxy)methyl]-1,2,4,5-tetrazin-3-yl}methyl)piperidin-1-yl]ethan-1-one
null
null
null
InChI=1S/C29H37FN6O4S/c1-41(37,38)36-11-9-26(34-29(32-20-31)33-25-7-8-27-28(16-25)40-13-12-39-27)23(19-36)18-35-10-3-5-22(17-35)14-21-4-2-6-24(30)15-21/h2,4,6-8,15-16,22-23,26H,3,5,9-14,17-19H2,1H3,(H2,32,33,34)
AOHZGBNAWNJNLL-UHFFFAOYSA-N
C[S](=O)(=O)N1CCC(N=C(NC#N)NC2=CC=C3OCCOC3=C2)C(CN2CCCC(CC3=CC(F)=CC=C3)C2)C1
C29H37FN6O4S
null
null
N'-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N''-[3-({3-[(3-fluorophenyl)methyl]piperidin-1-yl}methyl)-1-methanesulfonylpiperidin-4-yl]guanidine
null
null
null
InChI=1S/C15H22N4/c1-11-9-14(17-12-7-5-4-6-8-12)18-15(19(2)3)13(11)10-16/h9,12H,4-8H2,1-3H3,(H,17,18)
AOIGPEDRJAQGEA-UHFFFAOYSA-N
CN(C)C1=C(C#N)C(C)=CC(NC2CCCCC2)=N1
C15H22N4
null
null
6-(cyclohexylamino)-2-(dimethylamino)-4-methylpyridine-3-carbonitrile
null
null
null
InChI=1S/C41H28BrN/c1-41(2)37-26-30(29-18-14-27(15-19-29)12-13-28-16-21-31(42)22-17-28)20-23-33(37)35-24-25-36-34-10-6-7-11-38(34)43(40(36)39(35)41)32-8-4-3-5-9-32/h3-11,14-26H,1-2H3
AOIPZXIRGKSLJJ-UHFFFAOYSA-N
CC1(C)C2=CC(=CC=C2C2=C1C1=C(C=C2)C2=CC=CC=C2N1C1=CC=CC=C1)C1=CC=C(C=C1)C#CC1=CC=C(Br)C=C1
C41H28BrN
CC1(C2=C(C=CC(=C2)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)Br)C5=C1C6=C(C=C5)C7=CC=CC=C7N6C8=CC=CC=C8)C
2-[4-[2-(4-bromophenyl)ethynyl]phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
2-{4-[2-(4-bromophenyl)ethynyl]phenyl}-12,12-dimethyl-11-phenyl-11H,12H-indeno[2,1-a]carbazole
{"intermediateNodes":[],"alternativeParents":["CHEMONTID:0000020","CHEMONTID:0002334","CHEMONTID:0002497","CHEMONTID:0001098","CHEMONTID:0001029","CHEMONTID:0004144","CHEMONTID:0004139","CHEMONTID:0000278","CHEMONTID:0001515","CHEMONTID:0004150"],"substituents":["Carbazole","Fluorene","1-phenylpyrrole","Indole","Bromob...
{"us":1}
null
InChI=1S/C18H23BrFN3O3/c1-4-18(3,10-21)22-17(24)16-11(2)15(26-23-16)9-25-8-12-5-6-13(19)14(20)7-12/h5-7H,4,8-10,21H2,1-3H3,(H,22,24)
AOIQHHPWUSLPMB-UHFFFAOYSA-N
CCC(C)(CN)NC(=O)C1=NOC(COCC2=CC(F)=C(Br)C=C2)=C1C
C18H23BrFN3O3
null
null
N-(1-amino-2-methylbutan-2-yl)-5-{[(4-bromo-3-fluorophenyl)methoxy]methyl}-4-methyl-1,2-oxazole-3-carboxamide
null
null
null
InChI=1S/C24H26F4N8O2/c1-13(25)8-35-18-7-14(3-4-17(18)31-33-35)20-16(26)9-36-21(20)22(37-2)30-23(32-36)29-19-5-6-34(12-24(19,27)28)15-10-38-11-15/h3-4,7,9,13,15,19H,5-6,8,10-12H2,1-2H3,(H,29,32)/t13-,19+/m0/s1
AOIQWUUHZZZQMX-ORAYPTAESA-N
COC1=NC(N[C@@H]2CCN(CC2(F)F)C2COC2)=NN2C=C(F)C(=C12)C1=CC=C2N=NN(C[C@H](C)F)C2=C1
C24H26F4N8O2
COC1=NC(NC2CCN(CC2(F)F)C2COC2)=NN2C=C(F)C(=C12)C1=CC=C2N=NN(CC(C)F)C2=C1
N-[(4R)-3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-6-fluoro-5-[3-[(2S)-2-fluoropropyl]benzotriazol-5-yl]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
(4R)-3,3-difluoro-N-(6-fluoro-5-{1-[(2S)-2-fluoropropyl]-1H-1,2,3-benzotriazol-6-yl}-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-1-(oxetan-3-yl)piperidin-4-amine
null
null
null
InChI=1S/C20H22ClFN2O6/c1-19(2,3)29-17(25)15-5-6-16(28-15)23-18(26)20(27-4)10-14(24-30-20)11-7-12(21)9-13(22)8-11/h5,7-9,16H,6,10H2,1-4H3,(H,23,26)
AOIUEFLAQRYNDA-UHFFFAOYSA-N
COC1(CC(=NO1)C1=CC(Cl)=CC(F)=C1)C(=O)NC1CC=C(O1)C(=O)OC(C)(C)C
C20H22ClFN2O6
null
null
tert-butyl 5-[3-(3-chloro-5-fluorophenyl)-5-methoxy-4,5-dihydro-1,2-oxazole-5-amido]-4,5-dihydrofuran-2-carboxylate
null
null
null
InChI=1S/2C10H15.2Cl.Hf/c2*1-3-4-5-10-7-6-9(2)8-10;;;/h2*6-8H,3-5H2,1-2H3;;;/q4*-1;+4
AOIXBBRYEZQYCD-UHFFFAOYSA-N
CCCC[C-]12[CH]3=[C]4([Hf+4]1313567([CH]8=[C]1(C)[CH]3=[CH]5[C-]68CCCC)([CH]2=[CH]47)([Cl-])[Cl-])C
C20H30Cl2Hf
CCCC[C-]12[CH]3=[C]4([Hf+4]1313567([CH]8=[C]1(C)[CH]3=[CH]5[C-]68CCCC)([CH]2=[CH]47)([Cl-])[Cl-])C
null
null
null
null
null
InChI=1S/C21H36O4Si/c1-13-9-10-21(25-26(7,8)18(2,3)4)16(23)12-19(5)15(22)11-14(13)20(21,6)17(19)24/h9,14-15,17,22,24H,10-12H2,1-8H3/t14?,15-,17?,19-,20+,21+/m0/s1
AOJGVVMDVKCEKX-YJJUJBPLSA-N
[H]C12C[C@H](O)[C@]3(C)CC(=O)[C@@](CC=C1C)(O[Si](C)(C)C(C)(C)C)[C@@]2(C)C3O
C21H36O4Si
[H]C12CC(O)C3(C)CC(=O)C(CC=C1C)(O[Si](C)(C)C(C)(C)C)C2(C)C3O
null
(1S,4S,9R,11S)-4-[(tert-butyldimethylsilyl)oxy]-10,11-dihydroxy-1,7,9-trimethyltricyclo[6.2.2.0⁴,⁹]dodec-6-en-3-one
null
null
null
InChI=1S/C26H41N3O6/c1-18(2)16-21(24(32)34-6)28-23(31)20(29-25(33)35-26(3,4)5)14-10-11-15-27-22(30)17-19-12-8-7-9-13-19/h7-9,12-13,18,20-21H,10-11,14-17H2,1-6H3,(H,27,30)(H,28,31)(H,29,33)/t20-,21-/m0/s1
AOJJTSIBWGETCF-SFTDATJTSA-N
COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)CC1=CC=CC=C1)NC(=O)OC(C)(C)C
C26H41N3O6
COC(=O)C(CC(C)C)NC(=O)C(CCCCNC(=O)CC1=CC=CC=C1)NC(=O)OC(C)(C)C
null
methyl (2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-6-(2-phenylacetamido)hexanamido]-4-methylpentanoate
null
null
null
InChI=1S/C26H14Cl2F6N6O10S/c1-10(41)16-19(51(47)26(32,33)34)20(39(38-16)18-13(27)7-11(8-14(18)28)25(29,30)31)36-24(44)50-23(22(43)48-12-5-3-2-4-6-12)49-21(42)17-15(40(45)46)9-35-37-17/h2-9,23H,1H3,(H,35,37)(H,36,44)
AOJNCNBEHBSOLW-UHFFFAOYSA-N
CC(=O)C1=NN(C(NC(=O)OC(OC(=O)C2=NNC=C2[N](=O)=O)C(=O)OC2=CC=CC=C2)=C1[S](=O)C(F)(F)F)C1=C(Cl)C=C(C=C1Cl)C(F)(F)F
C26H14Cl2F6N6O10S
null
null
phenyl 2-[({3-acetyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-trifluoromethanesulfinyl-1H-pyrazol-5-yl}carbamoyl)oxy]-2-(4-nitro-1H-pyrazole-3-carbonyloxy)acetate
null
null
null
InChI=1S/C22H28ClN3O3SSi/c1-15-10-11-17(12-20(15)24-25-22(27)28-3)16(2)26-29-13-18(30)14-31(4,5)21-9-7-6-8-19(21)23/h6-12,24H,13-14H2,1-5H3,(H,25,27)
AOJNZGCRAQKTRA-UHFFFAOYSA-N
COC(=O)NNC1=C(C)C=CC(=C1)C(C)=NOCC(=S)C[Si](C)(C)C1=C(Cl)C=CC=C1
C22H28ClN3O3SSi
null
null
N'-{5-[1-({3-[(2-chlorophenyl)dimethylsilyl]-2-sulfanylidenepropoxy}imino)ethyl]-2-methylphenyl}methoxycarbohydrazide
null
null
null
InChI=1S/C16H18BrN3O4/c1-9-5-6-18-12(7-9)15(23)20(16(18)24)13-4-3-11(17)14(22)19(13)8-10(2)21/h3-4,9,12H,5-8H2,1-2H3
AOJOVAYQDBSLNR-UHFFFAOYSA-N
CC1CCN2C(C1)C(=O)N(C2=O)C1=CC=C(Br)C(=O)N1CC(C)=O
C16H18BrN3O4
null
null
2-[5-bromo-6-oxo-1-(2-oxopropyl)-1,6-dihydropyridin-2-yl]-7-methyl-octahydroimidazo[1,5-a]pyridine-1,3-dione
null
null
null
InChI=1S/C7H6F3N.ClH/c8-5-1-4(3-11)7(10)6(9)2-5;/h1-2H,3,11H2;1H
AOKAOGFUJFHAJI-UHFFFAOYSA-N
Cl.NCC1=C(F)C(F)=CC(F)=C1
C7H7ClF3N
C1=C(C=C(C(=C1F)F)CN)F.Cl
(2,3,5-trifluorophenyl)methanamine;hydrochloride
1-(2,3,5-trifluorophenyl)methanamine hydrochloride
{"alternativeparents":["CHEMONTID:0002673","CHEMONTID:0001100","CHEMONTID:0003899","CHEMONTID:0001031","CHEMONTID:0001517","CHEMONTID:0000469","CHEMONTID:0003921","CHEMONTID:0004150"],"class":"CHEMONTID:0002279","directparent":"CHEMONTID:0000185","intermediatenodes":[],"kingdom":"CHEMONTID:0000000","molecularframework"...
null
null
InChI=1S/C44H87NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-45(43(46)41-50-39-37-49-38-40-51-42-44(47)48)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-42H2,1-2H3,(H,47,48)
AOKCQFSKKHEJKG-UHFFFAOYSA-N
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COCCOCCOCC(O)=O
C44H87NO6
null
null
2-(2-{2-[(dioctadecylcarbamoyl)methoxy]ethoxy}ethoxy)acetic acid
null
null
null
InChI=1S/C18H16F2N2O3/c1-24-13-5-3-11(4-6-13)14(8-17(23)25-2)16(9-21)15-7-12(19)10-22-18(15)20/h3-7,10,14,16H,8H2,1-2H3/t14-,16+/m1/s1
AOKHKGFWROSXAG-ZBFHGGJFSA-N
COC(=O)C[C@@H]([C@H](C#N)C1=C(F)N=CC(F)=C1)C1=CC=C(OC)C=C1
C18H16F2N2O3
null
null
methyl (3S,4S)-4-cyano-4-(2,5-difluoropyridin-3-yl)-3-(4-methoxyphenyl)butanoate
null
null
null
InChI=1S/C23H28N2O4/c1-6-8-15-9-10-16-17(11-12-23(3,4)18(16)13-15)20-19(29-22(27)28-5)14-24-25(7-2)21(20)26/h9-11,13-14H,6-8,12H2,1-5H3
AOKIOXJRZKAVGV-UHFFFAOYSA-N
CCCC1=CC=C2C(=CCC(C)(C)C2=C1)C1=C(OC(=O)OC)C=NN(CC)C1=O
C23H28N2O4
null
null
5-(4,4-dimethyl-6-propyl-3,4-dihydronaphthalen-1-yl)-1-ethyl-6-oxo-1,6-dihydropyridazin-4-yl methyl carbonate
null
null
null
InChI=1S/C28H27ClN10O3/c1-16(2)31-13-23-30-9-10-37(23)18-7-8-22(20(29)12-18)38-15-32-24-21(14-42-3)36-39(25(24)27(38)40)19-6-4-5-17(11-19)26-33-28(41)35-34-26/h4-12,15-16,31H,13-14H2,1-3H3,(H2,33,34,35,41)
AOKMXAXDKFTQON-UHFFFAOYSA-N
COCC1=NN(C2=C1N=CN(C2=O)C1=C(Cl)C=C(C=C1)N1C=CN=C1CNC(C)C)C1=CC(=CC=C1)C1=NNC(=O)N1
C28H27ClN10O3
null
null
3-(3-{6-[2-chloro-4-(2-{[(propan-2-yl)amino]methyl}-1H-imidazol-1-yl)phenyl]-3-(methoxymethyl)-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-1-yl}phenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
null
null
null
InChI=1S/C27H29N5O3S/c1-17-7-5-12-24(32-27(33)31(2)29-30-32)22(17)15-35-26(36-19-8-3-4-9-19)28-23-16-34-25-20(18-13-14-18)10-6-11-21(23)25/h5-7,10-12,16,18-19H,3-4,8-9,13-15H2,1-2H3
AOKMZALFBPBLNY-UHFFFAOYSA-N
CN1N=NN(C1=O)C1=C(COC(SC2CCCC2)=NC2=COC3=C(C=CC=C23)C2CC2)C(C)=CC=C1
C27H29N5O3S
null
null
[2-methyl-6-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)phenyl]methyl 1-(cyclopentylsulfanyl)-N-(7-cyclopropyl-1-benzofuran-3-yl)methanimidate
null
null
null
InChI=1S/C22H23N3O3/c1-22(2,3)28-21(27)25-18-14-8-7-13-17(18)20(24-25)23-19(26)15-9-12-16-10-5-4-6-11-16/h4-14H,15H2,1-3H3,(H,23,24,26)/b12-9+
AOKWKKPAZMMYAM-FMIVXFBMSA-N
CC(C)(C)OC(=O)N1N=C(NC(=O)C\C=C\C2=CC=CC=C2)C2=CC=CC=C12
C22H23N3O3
null
null
tert-butyl 3-[(3E)-4-phenylbut-3-enamido]-1H-indazole-1-carboxylate
null
null
null
InChI=1S/C18H22N2O4S/c1-11(21)24-13-5-3-4-12(10-13)14-6-9-19-16(22)15(14)17(23)20-18(25-2)7-8-18/h3-5,10,14-15H,6-9H2,1-2H3,(H,19,22)(H,20,23)
AOLAMDUWIYHPDH-UHFFFAOYSA-N
CSC1(CC1)NC(=O)C1C(CCNC1=O)C1=CC(OC(C)=O)=CC=C1
C18H22N2O4S
null
null
3-(3-{[1-(methylsulfanyl)cyclopropyl]carbamoyl}-2-oxopiperidin-4-yl)phenyl acetate
null
null
null
InChI=1S/C16H14F3N3O2S/c1-7-4-8(6-25-7)9-5-20-15(23)12(9)16(24)22-21-11-3-2-10(17)13(18)14(11)19/h2-4,6,9,12,21H,5H2,1H3,(H,20,23)(H,22,24)
AOLCOUDONNSEJN-UHFFFAOYSA-N
CC1=CC(=CS1)C1CNC(=O)C1C(=O)NNC1=C(F)C(F)=C(F)C=C1
C16H14F3N3O2S
null
null
4-(5-methylthiophen-3-yl)-2-oxo-N'-(2,3,4-trifluorophenyl)pyrrolidine-3-carbohydrazide
null
null
null
InChI=1S/C22H15F7N6O3S2/c1-34-20(36)35(33-32-34)17-14(12(10-2-3-10)4-5-15(17)23)8-38-19-31-16(9-39-19)13-6-11(21(24,25)26)7-30-18(13)40(37)22(27,28)29/h4-7,9-10H,2-3,8H2,1H3
AOLFGCXENACFEV-UHFFFAOYSA-N
CN1N=NN(C1=O)C1=C(COC2=NC(=CS2)C2=C(N=CC(=C2)C(F)(F)F)[S](=O)C(F)(F)F)C(=CC=C1F)C1CC1
C22H15F7N6O3S2
null
null
1-{3-cyclopropyl-6-fluoro-2-[({4-[2-trifluoromethanesulfinyl-5-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-2-yl}oxy)methyl]phenyl}-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C43H29NO/c1-2-11-26-43(25-10-1)39-19-8-6-17-35(39)37-28-31(21-23-40(37)43)30-13-12-16-33(27-30)44(32-14-4-3-5-15-32)34-22-24-42-38(29-34)36-18-7-9-20-41(36)45-42/h1-29H
AOLGSTHPXUXDDY-UHFFFAOYSA-N
O1C2=CC=CC=C2C2=CC(=CC=C12)N(C1=CC=CC=C1)C1=CC=CC(=C1)C1=CC=C2C(=C1)C1=CC=CC=C1C21C=CC=CC=C1
C43H29NO
null
null
N-phenyl-N-(3-{spiro[cycloheptane-1,9'-fluorene]-2,4,6-trien-3'-yl}phenyl)-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-4-amine
null
null
null
InChI=1S/C16H21FN4OS2/c1-10-6-21(20-14(10)12-8-23-9-13(12)17)16(2,3)15-19-18-5-11(24-15)7-22-4/h6,8-9,11,18H,5,7H2,1-4H3
AOLGXGFURWSUKL-UHFFFAOYSA-N
COCC1CNN=C(S1)C(C)(C)N1C=C(C)C(=N1)C1=CSC=C1F
C16H21FN4OS2
null
null
2-{2-[3-(4-fluorothiophen-3-yl)-4-methyl-1H-pyrazol-1-yl]propan-2-yl}-6-(methoxymethyl)-5,6-dihydro-4H-1,3,4-thiadiazine
null
null
null
InChI=1S/C17H19N5O2/c18-12-16(23)21-7-9-22(10-8-21)17(24)13-4-6-20-15(11-13)14-3-1-2-5-19-14/h1-6,11H,7-10,12,18H2
AOLHHLQTCAYVBP-UHFFFAOYSA-N
NCC(=O)N1CCN(CC1)C(=O)C1=CC=NC(=C1)C1=CC=CC=N1
C17H19N5O2
C1CN(CCN1C(=O)CN)C(=O)C2=CC(=NC=C2)C3=CC=CC=N3
2-amino-1-[4-(2-pyridin-2-ylpyridine-4-carbonyl)piperazin-1-yl]ethanone
2-amino-1-(4-{[2,2'-bipyridine]-4-carbonyl}piperazin-1-yl)ethan-1-one
{"intermediateNodes":[],"alternativeParents":["CHEMONTID:0002309","CHEMONTID:0001322","CHEMONTID:0000189","CHEMONTID:0001664","CHEMONTID:0004144","CHEMONTID:0004139","CHEMONTID:0003940","CHEMONTID:0000469","CHEMONTID:0004150","CHEMONTID:0001831"],"substituents":["Alpha-amino acid amide","Bipyridine","Alpha-amino acid o...
null
null
InChI=1S/C23H16O6.C22H25ClN2O/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-4-25(5-2)14-20(26)18-11-8-9-16-13-15(3)21(24-22(16)18)17-10-6-7-12-19(17)23/h1-10,24-25H,11H2,(H,26,27)(H,28,29);6-13,20,26H,4-5,14H2,1-3H3
AOLHQVYNEGXSFS-UHFFFAOYSA-N
CCN(CC)CC(O)C1=CC=CC2=C1N=C(C(C)=C2)C1=C(Cl)C=CC=C1.OC(=O)C1=CC2=C(C=CC=C2)C(CC2=C(O)C(=CC3=C2C=CC=C3)C(O)=O)=C1O
C45H41ClN2O7
CCN(CC)CC(O)C1=CC=CC2=C1N=C(C(C)=C2)C1=C(Cl)C=CC=C1.OC(=O)C1=CC2=C(C=CC=C2)C(CC2=C(O)C(=CC3=C2C=CC=C3)C(O)=O)=C1O
null
1-[2-(2-chlorophenyl)-3-methylquinolin-8-yl]-2-(diethylamino)ethan-1-ol; 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
null
null
null
InChI=1S/C25H21ClF2N6O5S/c1-30-40(37,38)20-6-4-3-5-15(20)13-9-17(27)22(18(28)10-13)32-25(36)24-31-21(12-39-2)33-34(24)19-8-7-14(26)11-16(19)23(29)35/h3-11,30H,12H2,1-2H3,(H2,29,35)(H,32,36)
AOLJGRNACIUKRW-UHFFFAOYSA-N
CN[S](=O)(=O)C1=C(C=CC=C1)C1=CC(F)=C(NC(=O)C2=NC(COC)=NN2C2=C(C=C(Cl)C=C2)C(N)=O)C(F)=C1
C25H21ClF2N6O5S
CNS(=O)(=O)C1=C(C=CC=C1)C1=CC(F)=C(NC(=O)C2=NC(COC)=NN2C2=C(C=C(Cl)C=C2)C(N)=O)C(F)=C1
null
1-(2-carbamoyl-4-chlorophenyl)-N-[3,5-difluoro-2'-(methylsulfamoyl)-[1,1'-biphenyl]-4-yl]-3-(methoxymethyl)-1H-1,2,4-triazole-5-carboxamide
null
null
null
InChI=1S/C22H19ClF3N7O5/c1-4-37-19-10-27-20(33(35)36)31(19)17-8-12(2)18(9-15(17)23)38-11-13-14(22(24,25)26)6-5-7-16(13)32-21(34)30(3)28-29-32/h5-10H,4,11H2,1-3H3
AOLMTBQBAWMZBH-UHFFFAOYSA-N
CCOC1=CN=C(N1C1=C(Cl)C=C(OCC2=C(C=CC=C2C(F)(F)F)N2N=NN(C)C2=O)C(C)=C1)[N](=O)=O
C22H19ClF3N7O5
null
null
1-(2-{[5-chloro-4-(5-ethoxy-2-nitro-1H-imidazol-1-yl)-2-methylphenoxy]methyl}-3-(trifluoromethyl)phenyl)-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C23H19ClF4N4O4/c1-11-7-14(19-12(2)9-35-21(19)36-22(27)28)16(24)8-18(11)34-10-15-13(20(25)26)5-4-6-17(15)32-23(33)31(3)29-30-32/h4-9,20,22H,10H2,1-3H3
AOLNBFWPTHEOQJ-UHFFFAOYSA-N
CN1N=NN(C1=O)C1=C(COC2=C(C)C=C(C3=C(OC(F)F)OC=C3C)C(Cl)=C2)C(=CC=C1)C(F)F
C23H19ClF4N4O4
null
null
1-[2-({5-chloro-4-[2-(difluoromethoxy)-4-methylfuran-3-yl]-2-methylphenoxy}methyl)-3-(difluoromethyl)phenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/2C10H17NP.C5H5N.CH3.Al.Cl.Rh/c2*1-8(2)12(9(3)4)10-6-5-7-11-10;1-2-4-6-5-3-1;;;;/h2*5-9H,1-4H3;1-5H;1H3;;;/q2*-1;;-1;+2;-1;+2
AOLNIWMSODHVHH-UHFFFAOYSA-N
CC(C)[P]1(C(C)C)C2=CC=C[N-]2[Al++]2([CH3-])[N-]3C=CC=C3[P](C(C)C)(C(C)C)[Rh++]12([Cl-])[N]1=CC=CC=C1 |c:9,16,18,34,36,t:7,32,(11.65,2.13,;10.43,1.42,;10.43,,;9.2,2.13,;7.96,1.42,;6.73,2.13,;7.96,,;9.19,4.04,;10.73,4.04,;11.21,5.5,;9.96,6.4,;8.71,5.5,;5.29,8.12,;3.37,9.23,;7.9,9.76,;7.43,11.23,;8.68,12.13,;9.92,11.23,;9...
C26H42AlClN3P2Rh
CC(C)[P]1(C(C)C)C2=CC=C[N-]2[Al++]2([CH3-])[N-]3C=CC=C3[P](C(C)C)(C(C)C)[Rh++]12([Cl-])[N]1=CC=CC=C1
null
null
null
null
null
InChI=1S/C30H60O5Si3/c1-15-26(33-36(13,14)29(9,10)11)25-27(34-37(17-3,18-4)19-5)30(12,24-23-28(31)32-16-2)35-38(20-6,21-7)22-8/h1,23-24,26-27H,16-22,25H2,2-14H3/b24-23+/t26-,27+,30+/m0/s1
AOLONODQJTVAFY-HKWRZXGVSA-N
CCOC(=O)/C=C/[C@](C)([C@@H](C[C@H](C#C)O[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC)O[Si](CC)(CC)CC
C30H60O5Si3
CCOC(=O)C=CC(C)(C(CC(C#C)O[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC)O[Si](CC)(CC)CC
ethyl (E,4R,5R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4,5-bis(triethylsilyloxy)non-2-en-8-ynoate
ethyl (2E,4R,5R,7R)-7-[(tert-butyldimethylsilyl)oxy]-4-methyl-4,5-bis[(triethylsilyl)oxy]non-2-en-8-ynoate
{"alternativeParents":["CHEMONTID:0004479","CHEMONTID:0003626","CHEMONTID:0003200","CHEMONTID:0003998","CHEMONTID:0001137","CHEMONTID:0004478","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"directParent":"CHEMONTID:0000324","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecularFramework":"Alipha...
null
null
InChI=1S/C25H20F6N4O2S/c1-34-25(36)35(33-32-34)18-7-4-8-19(37-2)17(18)12-38-20-10-9-13(11-16(20)24(30)31)21-14(22(26)27)5-3-6-15(21)23(28)29/h3-11,22-24H,12H2,1-2H3
AOLQEXCYHFGNCQ-UHFFFAOYSA-N
COC1=CC=CC(N2N=NN(C)C2=O)=C1CSC1=C(C=C(C=C1)C1=C(C=CC=C1C(F)F)C(F)F)C(F)F
C25H20F6N4O2S
COC1=CC=CC(N2N=NN(C)C2=O)=C1CSC1=C(C=C(C=C1)C1=C(C=CC=C1C(F)F)C(F)F)C(F)F
null
1-[3-methoxy-2-({[2',3,6'-tris(difluoromethyl)-[1,1'-biphenyl]-4-yl]sulfanyl}methyl)phenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C16H20BrN3O6S2/c1-9-12(16(22)20(2)19-9)13(21)10-5-6-11(17)15(14(10)27(4,23)24)28(18,25)8-7-26-3/h5-6,18,22H,7-8H2,1-4H3
AOLRDRUKAJUJNJ-UHFFFAOYSA-N
COCC[S](=N)(=O)C1=C(C(=CC=C1Br)C(=O)C1=C(O)N(C)N=C1C)[S](C)(=O)=O
C16H20BrN3O6S2
null
null
[6-bromo-3-(5-hydroxy-1,3-dimethyl-1H-pyrazole-4-carbonyl)-2-methanesulfonylphenyl](imino)(2-methoxyethyl)-λ⁶-sulfanone
null
null
null
InChI=1S/C12H8Cl2O2S/c13-8-4-5-9(14)12-7(8)2-1-3-10(12)17-6-11(15)16/h1-5H,6H2,(H,15,16)
AOLRHCIDWJPOAF-UHFFFAOYSA-N
OC(=O)CSC1=CC=CC2=C1C(Cl)=CC=C2Cl
C12H8Cl2O2S
null
null
2-[(5,8-dichloronaphthalen-1-yl)sulfanyl]acetic acid
null
null
null
InChI=1S/C12H22O4/c1-11(8-10(14)9-13)4-2-3-5-12(11)15-6-7-16-12/h10,13-14H,2-9H2,1H3/t10?,11-/m1/s1
AOLUCRGSNUPHPN-RRKGBCIJSA-N
C[C@]1(CC(O)CO)CCCCC11OCCO1
C12H22O4
null
null
3-[(6R)-6-methyl-1,4-dioxaspiro[4.5]decan-6-yl]propane-1,2-diol
null
null
null
InChI=1S/C29H29N3O10/c1-16(33)38-15-22-26(39-17(2)34)27(40-18(3)35)28(41-19(4)36)29(42-22)32-24(25(37)21-13-9-6-10-14-21)23(30-31-32)20-11-7-5-8-12-20/h5-14,22,26-29H,15H2,1-4H3/t22-,26-,27+,28-,29-/m1/s1
AOLVJVWQTMPJJT-PWWSGAPCSA-N
CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)N1N=NC(=C1C(=O)C1=CC=CC=C1)C1=CC=CC=C1
C29H29N3O10
null
null
[(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(5-benzoyl-4-phenyl-1H-1,2,3-triazol-1-yl)oxan-2-yl]methyl acetate
null
null
null
InChI=1S/C15H16F3N3O7S/c1-24-14-10(20-21-19)12(28-29(22,23)15(16,17)18)11-9(26-14)7-25-13(27-11)8-5-3-2-4-6-8/h2-6,9-14H,7H2,1H3/t9-,10-,11+,12+,13+,14-/m1/s1
AOLVQQMJAIZEFL-NKTODWNOSA-N
[H][C@@]12CO[C@@H](O[C@]1([H])[C@@H](O[S](=O)(=O)C(F)(F)F)[C@@H](N=[N+]=[N-])[C@H](OC)O2)C1=CC=CC=C1
C15H16F3N3O7S
[H]C12COC(OC1([H])C(OS(=O)(=O)C(F)(F)F)C(N=[N+]=[N-])C(OC)O2)C1=CC=CC=C1
null
(2S,4aR,6R,7R,8S,8aS)-7-azido-6-methoxy-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-8-yl trifluoromethanesulfonate
null
null
null
InChI=1S/C20H13BrN2OS/c1-10(24)22-19-18-14(13-8-11(21)6-7-16(13)23-18)9-15-12-4-2-3-5-17(12)25-20(15)19/h2-9,23H,1H3,(H,22,24)
AOLWGIJTQNCFBE-UHFFFAOYSA-N
CC(=O)NC1=C2NC3=CC=C(Br)C=C3C2=CC2=C1SC1=CC=CC=C21
C20H13BrN2OS
null
null
N-{18-bromo-10-thia-14-azapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,²⁰]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-12-yl}acetamide
null
null
null
InChI=1S/C24H34O15/c1-33-12-6-11(7-13(34-2)21(12)35-3)4-5-16(27)36-9-15-17(28)19(30)20(31)23(37-15)39-24(10-26)22(32)18(29)14(8-25)38-24/h4-7,14-15,17-20,22-23,25-26,28-32H,8-10H2,1-3H3/b5-4+/t14-,15-,17-,18-,19+,20-,22+,23-,24+/m1/s1
AOLXCIMAVBSZMY-JKCNAQEDSA-N
COC1=CC(\C=C\C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(OC)=C1OC
C24H34O15
COC1=CC(C=CC(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)=CC(OC)=C1OC
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
[(2R,3S,4S,5R,6R)-6-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
{"alternativeParents":["CHEMONTID:0003480","CHEMONTID:0002204","CHEMONTID:0001542","CHEMONTID:0002207","CHEMONTID:0000037","CHEMONTID:0000138","CHEMONTID:0004742","CHEMONTID:0004113","CHEMONTID:0000128","CHEMONTID:0000324","CHEMONTID:0004472","CHEMONTID:0002012","CHEMONTID:0001967","CHEMONTID:0003626","CHEMONTID:000166...
null
null
InChI=1S/C18H19BrN8O2/c1-11-6-5-7-16(27-18(28)26(4)24-25-27)15(11)9-29-13(3)23-22-12(2)14-8-20-10-21-17(14)19/h5-8,10H,9H2,1-4H3
AOMALBNJRSTDME-UHFFFAOYSA-N
CN1N=NN(C1=O)C1=C(COC(C)=NN=C(C)C2=CN=CN=C2Br)C(C)=CC=C1
C18H19BrN8O2
null
null
[2-methyl-6-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)phenyl]methyl N-[1-(4-bromopyrimidin-5-yl)ethylidene]ethanehydrazonate
null
null
null
InChI=1S/C37H47F2N3O5S/c1-5-11-41(12-6-2)36(44)29-14-25(4)15-30(19-29)37(45)42(13-10-27-16-31(38)20-32(39)17-27)22-33(43)21-40-35-24-48(46,47)23-28-9-8-26(7-3)18-34(28)35/h8-9,14-20,33,35,40,43H,5-7,10-13,21-24H2,1-4H3/t33-,35+/m1/s1
AOMBMAIORVUPER-OQBISYOISA-N
CCCN(CCC)C(=O)C1=CC(C)=CC(=C1)C(=O)N(CCC1=CC(F)=CC(F)=C1)C[C@H](O)CN[C@H]1C[S](=O)(=O)CC2=CC=C(CC)C=C12
C37H47F2N3O5S
CCCN(CCC)C(=O)C1=CC(C)=CC(=C1)C(=O)N(CCC1=CC(F)=CC(F)=C1)CC(O)CNC1CS(=O)(=O)CC2=CC=C(CC)C=C12
3-N-[2-(3,5-difluorophenyl)ethyl]-3-N-[(2R)-3-[[(4R)-6-ethyl-2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl]amino]-2-hydroxypropyl]-5-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide
N1-[2-(3,5-difluorophenyl)ethyl]-N1-[(2R)-3-{[(4R)-6-ethyl-2,2-dioxo-3,4-dihydro-1H-2λ⁶-benzothiopyran-4-yl]amino}-2-hydroxypropyl]-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide
{"alternativeParents":["CHEMONTID:0002835","CHEMONTID:0003414","CHEMONTID:0000178","CHEMONTID:0000321","CHEMONTID:0003899","CHEMONTID:0001100","CHEMONTID:0001031","CHEMONTID:0000505","CHEMONTID:0001664","CHEMONTID:0001661","CHEMONTID:0001897","CHEMONTID:0000347","CHEMONTID:0002228","CHEMONTID:0003940","CHEMONTID:000151...
{"ca":1,"ep":1,"jp":1,"us":2}
null
InChI=1S/C32H31N.Au.ClH/c1-23(2)28-19-13-20-29(24(3)4)31(28)33-22-25-14-11-12-21-30(25)32(33,26-15-7-5-8-16-26)27-17-9-6-10-18-27;;/h5-21,23-24H,1-4H3;;1H/q;+1;/p-1
AOMFWRACAMXLTM-UHFFFAOYSA-M
CC(C)C1=CC=CC(C(C)C)=C1N1C(=[Au]Cl)C2=CC=CC=C2C1(C1=CC=CC=C1)C1=CC=CC=C1 |c:5,10,19,21,28,30,35,37,t:3,17,26,33,(.01,3.44,;1.55,3.57,;2.2,4.97,;2.43,2.31,;2.43,.77,;3.76,,;5.1,.77,;5.1,2.31,;6.43,3.08,;6.43,4.62,;7.77,2.31,;3.76,3.08,;3.76,6.16,;2.25,6.45,;1.13,5.4,;,4.35,;2.06,7.98,;.8,8.87,;.94,10.4,;2.33,11.05,;3.59...
C32H31AuClN
CC(C)C1=CC=CC(C(C)C)=C1N1C(=[Au]Cl)C2=CC=CC=C2C1(C1=CC=CC=C1)C1=CC=CC=C1
null
{2-[2,6-bis(propan-2-yl)phenyl]-3,3-diphenyl-2,3-dihydro-1H-isoindol-1-ylidene}(chloro)gold
null
null
null
InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h3,7H,1-2H2,(H,8,9)/t3-/m1/s1
AOMLMYXPXUTBQH-GSVOUGTGSA-N
C1[C@H](CN=C1C(=O)O)O
C5H7NO3
C1C(CN=C1C(=O)O)O
(3R)-3-hydroxy-3,4-dihydro-2H-pyrrole-5-carboxylic acid
(3R)-3-hydroxy-3,4-dihydro-2H-pyrrole-5-carboxylic acid
{"alternativeParents":["CHEMONTID:0001661","CHEMONTID:0001673","CHEMONTID:0003633","CHEMONTID:0001137","CHEMONTID:0001205","CHEMONTID:0004139","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"directParent":"CHEMONTID:0000091","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecularFramework":"Alipha...
{"ep":2,"us":2,"wo":1}
null
InChI=1S/C58H74N30O17/c1-31-17-83(57(104)77-50(31)99)22-38(94)79(15-16-89)11-8-67-52(101)33(3-4-34(60)90)88(42(98)26-84-18-32(2)51(100)78-58(84)105)14-9-66-37(93)21-81(40(96)23-85-28-70-43-46(61)68-27-69-47(43)85)12-7-65-36(92)20-82(41(97)25-87-30-72-45-49(87)74-56(63)76-54(45)103)13-6-64-35(91)19-80(10-5-59)39(95)24-8...
AOMMKRIRVAYJIP-XIFFEERXSA-N
CC1=CN(CC(=O)N(CCNC(=O)[C@H](CCC(N)=O)N(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCN)C(=O)CN2C=NC3=C2NC(N)=NC3=O)C(=O)CN2C=NC3=C2NC(N)=NC3=O)C(=O)CN2C=NC3=C(N)N=CN=C23)C(=O)CN2C=C(C)C(=O)NC2=O)CC=O)C(=O)NC1=O
C58H74N30O17
null
null
(2S)-2-[N-(2-{2-[N-(2-{2-[2-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-N-(2-{2-[2-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-N-(2-aminoethyl)acetamido]acetamido}ethyl)acetamido]acetamido}ethyl)-2-(6-amino-9H-purin-9-yl)acetamido]acetamido}ethyl)-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]-N-{2-[2-(5...
null
null
null
InChI=1S/C24H15ClN4O/c25-18-6-3-16(4-7-18)17-5-10-21-20(13-17)23-22(14-27-21)28-24(30)29(23)19-8-1-15(2-9-19)11-12-26/h1-10,13-14H,11H2,(H,28,30)
AOMQUIXRUUIANJ-UHFFFAOYSA-N
ClC1=CC=C(C=C1)C1=CC=C2N=CC3=C(N(C(=O)N3)C3=CC=C(CC#N)C=C3)C2=C1
C24H15ClN4O
null
null
2-{4-[8-(4-chlorophenyl)-2-oxo-1H,2H,3H-imidazo[4,5-c]quinolin-1-yl]phenyl}acetonitrile
null
null
null
InChI=1S/C27H23N5O4S/c1-17-6-8-19(9-7-17)37(33,34)32-25-15-18(20-4-3-5-24-21(20)10-12-28-24)14-22(23(25)16-29-32)27-31-30-26(36-27)11-13-35-2/h3-10,12,14-16,28H,11,13H2,1-2H3
AOMSSGAARFHKGC-UHFFFAOYSA-N
COCCC1=NN=C(O1)C1=C2C=NN(C2=CC(=C1)C1=C2C=CNC2=CC=C1)[S](=O)(=O)C1=CC=C(C)C=C1
C27H23N5O4S
null
null
6-(1H-indol-4-yl)-4-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylbenzenesulfonyl)-1H-indazole
null
null
null
InChI=1S/C27H28N2O5S/c1-32-25-14-18(7-11-23(25)30)5-9-20-16-21(10-6-19-8-12-24(31)26(15-19)33-2)29(27(35)28-20)17-22-4-3-13-34-22/h5-12,14-16,22,30-31H,3-4,13,17H2,1-2H3/b9-5+,10-6+
AOMTZLADEGMISC-NXZHAISVSA-N
COC1=C(C=CC(=C1)/C=C/C2=CC(=NC(=S)N2CC3CCCO3)/C=C/C4=CC(=C(C=C4)O)OC)O
C27H28N2O5S
COC1=C(C=CC(=C1)C=CC2=CC(=NC(=S)N2CC3CCCO3)C=CC4=CC(=C(C=C4)O)OC)O
4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-(oxolan-2-ylmethyl)pyrimidine-2-thione
4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-[(oxolan-2-yl)methyl]-1,2-dihydropyrimidine-2-thione
null
null
null
InChI=1S/C18H22N2O5S/c1-13-9-11-15(12-10-13)26(23,24)19-16(18(22)20(2)25-3)17(21)14-7-5-4-6-8-14/h4-12,16-17,19,21H,1-3H3/t16-,17+/m0/s1
AOMWLUXEORAIPU-LQKAMQBPSA-N
CON(C)C(=O)[C@@H](N[S](=O)(=O)C1=CC=C(C)C=C1)[C@H](O)C1=CC=CC=C1
C18H22N2O5S
CON(C)C(=O)C(NS(=O)(=O)C1=CC=C(C)C=C1)C(O)C1=CC=CC=C1
null
(2S,3R)-3-hydroxy-N-methoxy-N-methyl-2-(4-methylbenzenesulfonamido)-3-phenylpropanamide
null
null
null
InChI=1S/C28H26F3N5O3S/c1-4-5-14-39-32-26(18-8-6-9-20(15-18)27(30)31)19-12-13-24(22(29)16-19)38-17-21-23(10-7-11-25(21)40-3)36-28(37)35(2)33-34-36/h4,6-13,15-16,27H,1,5,14,17H2,2-3H3
AOMXOPRXDLYWGK-UHFFFAOYSA-N
CSC1=CC=CC(N2N=NN(C)C2=O)=C1COC1=C(F)C=C(C=C1)C(=NOCCC=C)C1=CC(=CC=C1)C(F)F
C28H26F3N5O3S
null
null
1-{2-[(4-{[(but-3-en-1-yloxy)imino][3-(difluoromethyl)phenyl]methyl}-2-fluorophenoxy)methyl]-3-(methylsulfanyl)phenyl}-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C46H73NO12/c1-10-12-27(2)41-30(5)17-18-45(59-41)24-35-22-34(58-45)16-15-29(4)40(57-38-23-37(51-9)42(32(7)55-38)54-26-52-20-19-47-8)28(3)13-11-14-33-25-53-43-39(48)31(6)21-36(44(49)56-35)46(33,43)50/h11,13-15,21,27-28,30,32,34-43,47-48,50H,10,12,16-20,22-26H2,1-9H3/b13-11+,29-15+,33-14+/t27?,28-,30-,32-,34+,35-...
AOMZHHUJOWBDMH-DUXLBKQWSA-N
[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](O[C@H]4C[C@H](OC)[C@H](OCOCCNC)[C@H](C)O4)\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@]5(CC[C@H](C)[C@H](O5)C(C)CCC)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O
C46H73NO12
null
null
(1'R,2R,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-{[(2R,4S,5R,6S)-4-methoxy-6-methyl-5-{[2-(methylamino)ethoxy]methoxy}oxan-2-yl]oxy}-5,11',13',22'-tetramethyl-6-(pentan-2-yl)-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one
null
null
null
InChI=1S/C15H19ClNO3PS/c1-4-18-21(22,19-5-2)20-10-13-9-12-8-11(3)6-7-14(12)17-15(13)16/h6-9H,4-5,10H2,1-3H3
AOMZWEFTZOHRGK-UHFFFAOYSA-N
CCOP(=S)(OCC)OCC1=C(N=C2C=CC(=CC2=C1)C)Cl
C15H19ClNO3PS
CCOP(=S)(OCC)OCC1=C(N=C2C=CC(=CC2=C1)C)Cl
(2-chloro-6-methylquinolin-3-yl)methoxy-diethoxy-sulfanylidene-lambda5-phosphane
O-(2-chloro-6-methylquinolin-3-yl)methyl O,O-diethyl phosphorothioate
null
null
null
InChI=1S/C19H23ClN2O5/c1-4-5-15-16(22-12-21-15)8-9-26-13-6-7-14(20)17(10-13)27-18(11-24-2)19(23)25-3/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,21,22)
AONABNFDHCJTMN-UHFFFAOYSA-N
CCCC1=C(CCOC2=CC=C(Cl)C(OC(=COC)C(=O)OC)=C2)NC=N1
C19H23ClN2O5
null
null
methyl 2-{2-chloro-5-[2-(4-propyl-1H-imidazol-5-yl)ethoxy]phenoxy}-3-methoxyprop-2-enoate
null
null
null
InChI=1S/C55H86FN17O12/c1-29(2)20-39(42(74)24-45(77)68-40(48(59)79)21-30(3)4)71-53(84)41(23-35-26-62-28-65-35)69-46(78)27-73(8)54(85)47(31(5)6)72-49(80)32(7)66-52(83)38(16-17-43(58)75)67-44(76)13-9-10-18-63-51(82)37(12-11-19-64-55(60)61)70-50(81)33-14-15-36(56)34(22-33)25-57/h14-15,22,26,28-32,37-42,47,74H,9-13,16-21,2...
AONCNDNTDVXEDR-LLNZYRBLSA-N
CC(C)C[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)CN(C)C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)C1=CC(C#N)=C(F)C=C1)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O
C55H86FN17O12
null
null
(2S)-2-{5-[(2S)-5-carbamimidamido-2-[(3-cyano-4-fluorophenyl)formamido]pentanamido]pentanamido}-N-[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(2S,3S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-hydroxy-5-methylhexan-3-yl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}methyl)(methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]penta...
null
null
null
InChI=1S/C19H18Cl2FNO2/c1-12(13-6-3-2-4-7-13)23(18-10-17(18)22)19(24)25-11-14-15(20)8-5-9-16(14)21/h2-9,12,17-18H,10-11H2,1H3/t12-,17+,18-/m0/s1
AONFDQXEUUMHLV-RZAIGCCYSA-N
C[C@H](N([C@H]1C[C@H]1F)C(=O)OCC1=C(Cl)C=CC=C1Cl)C1=CC=CC=C1
C19H18Cl2FNO2
CC(N(C1CC1F)C(=O)OCC1=C(Cl)C=CC=C1Cl)C1=CC=CC=C1
null
(2,6-dichlorophenyl)methyl N-[(1S,2R)-2-fluorocyclopropyl]-N-[(1S)-1-phenylethyl]carbamate
null
null
null
InChI=1S/C41H39P3.HI.NO.Ni/c1-41(32-42(35-20-8-2-9-21-35)36-22-10-3-11-23-36,33-43(37-24-12-4-13-25-37)38-26-14-5-15-27-38)34-44(39-28-16-6-17-29-39)40-30-18-7-19-31-40;;1-2;/h2-31H,32-34H2,1H3;1H;;/q;;+1;/p-1
AONKVUAJRMWBGS-UHFFFAOYSA-M
[I-].CC12C[P](C3=CC=CC=C3)(C3=CC=CC=C3)[Ni]([N]#[O+])([P](C1)(C1=CC=CC=C1)C1=CC=CC=C1)[P](C2)(C1=CC=CC=C1)C1=CC=CC=C1 |c:6,8,13,15,26,28,33,35,43,45,50,52,t:4,11,24,31,41,48,(8.01,,;7.66,3.3,;7.72,4.84,;6.33,4.05,;5.34,5.04,;2.67,6.58,;1.33,5.81,;0,6.58,;,8.12,;1.33,8.89,;2.67,8.12,;4.16,4.05,;2.71,4.57,;1.53,3.58,;1.8...
C41H39INNiOP3
null
null
null
null
null
null
InChI=1S/C26H33N7O4/c1-16-8-6-7-9-20(16)19(4)28-24(35)21-15-37-26(29-21)31-10-11-32(22(13-31)25(36)27-5)23(34)14-33-18(3)12-17(2)30-33/h6-9,12,15,19,22H,10-11,13-14H2,1-5H3,(H,27,36)(H,28,35)
AONLEWHJZKYHBV-UHFFFAOYSA-N
CNC(=O)C1CN(CCN1C(=O)CN1N=C(C)C=C1C)C1=NC(=CO1)C(=O)NC(C)C1=C(C)C=CC=C1
C26H33N7O4
CNC(=O)C1CN(CCN1C(=O)CN1N=C(C)C=C1C)C1=NC(=CO1)C(=O)NC(C)C1=C(C)C=CC=C1
null
1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N-methyl-4-(4-{[1-(2-methylphenyl)ethyl]carbamoyl}-1,3-oxazol-2-yl)piperazine-2-carboxamide
null
null
null
InChI=1S/C23H25F3N2O4S/c1-7-11-28-20(29)17(15-12(2)33-14-10-8-9-13(31-6)16(14)15)18(19(27-28)23(24,25)26)32-21(30)22(3,4)5/h8-10H,7,11H2,1-6H3
AONNCMPMUFMROD-UHFFFAOYSA-N
CCCN1N=C(C(OC(=O)C(C)(C)C)=C(C2=C(C)SC3=CC=CC(OC)=C23)C1=O)C(F)(F)F
C23H25F3N2O4S
null
null
5-(4-methoxy-2-methyl-1-benzothiophen-3-yl)-6-oxo-1-propyl-3-(trifluoromethyl)-1,6-dihydropyridazin-4-yl 2,2-dimethylpropanoate
null
null
null
InChI=1S/C22H28Cl2N2O3/c1-11(2)16-9-25(6)10-17-20(29-22(28)12(3)4)19(21(27)26(16)17)18-13(5)7-14(23)8-15(18)24/h7-8,11-12,16-17H,9-10H2,1-6H3
AONOUZCUPGIKLN-UHFFFAOYSA-N
CC(C)C1CN(C)CC2N1C(=O)C(=C2OC(=O)C(C)C)C1=C(C)C=C(Cl)C=C1Cl
C22H28Cl2N2O3
null
null
7-(2,4-dichloro-6-methylphenyl)-2-methyl-6-oxo-4-(propan-2-yl)-1H,2H,3H,4H,6H,8aH-pyrrolo[1,2-a]pyrazin-8-yl 2-methylpropanoate
null
null
null
InChI=1S/C20H18Cl2N4S/c1-12(2)11-26-19(23-24-20(26)27)7-8-25-17-5-3-13(21)9-15(17)16-10-14(22)4-6-18(16)25/h3-6,9-10H,1,7-8,11H2,2H3,(H,24,27)
AONPIOZMEQYYBK-UHFFFAOYSA-N
CC(=C)CN1C(=S)NN=C1CCN1C2=CC=C(Cl)C=C2C2=CC(Cl)=CC=C12
C20H18Cl2N4S
C=C(C)Cn1c(S)nnc1CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21
3-[2-(3,6-dichlorocarbazol-9-yl)ethyl]-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione
3-[2-(3,6-dichloro-9H-carbazol-9-yl)ethyl]-4-(2-methylprop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
{"alternativeParents":["CHEMONTID:0004197","CHEMONTID:0002497","CHEMONTID:0002257","CHEMONTID:0002448","CHEMONTID:0001030","CHEMONTID:0004461","CHEMONTID:0000099","CHEMONTID:0004144","CHEMONTID:0004139","CHEMONTID:0000004","CHEMONTID:0004557","CHEMONTID:0000278","CHEMONTID:0001516","CHEMONTID:0004150"],"directParent":"...
null
null
InChI=1S/C18H15P.C10H10N6O3S.C6H15BN3P.Cl.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-20(18,19)10(14-7-1-4-11-14,15-8-2-5-12-15)16-9-3-6-13-16;7-10-2-8-1-9(3-10)5-11(4-8)6-10;;/h1-15H;1-9H,(H,17,18,19);1-6H2,7H3;;/q;;;-1;+2/p-1
AONSMCGXRIYZJA-UHFFFAOYSA-M
[H-][B+3]([H-])([H-])[N]12CN3CN(C1)C[P](C3)(C2)[Ru++]12([Cl-])([N]3=CC=CN3C(N3C=CC=[N]13)(N1C=CC=[N]21)[S]([O-])(=O)=O)[P](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |c:21,27,34,47,49,54,56,61,63,t:19,29,36,45,52,59,(19.55,1.92,;18.31,1.23,;19.02,,;17.6,,;14.4,3.49,;14.4,1.21,;12.44,.07,;10.57,.48,;10.17,2.35,;12.12,3.49,;11...
C34H39BClN9O3P2RuS
null
null
null
null
null
null
InChI=1S/C24H22BrClN4O2S/c1-3-16-18(14-7-8-14)13-33-23(16)15-9-10-22(19(25)11-15)32-12-17-20(26)5-4-6-21(17)30-24(31)29(2)27-28-30/h4-6,9-11,13-14H,3,7-8,12H2,1-2H3
AONTUYTZHZXCDV-UHFFFAOYSA-N
CCC1=C(SC=C1C1CC1)C1=CC(Br)=C(OCC2=C(C=CC=C2Cl)N2N=NN(C)C2=O)C=C1
C24H22BrClN4O2S
CCC1=C(SC=C1C1CC1)C1=CC(Br)=C(OCC2=C(C=CC=C2Cl)N2N=NN(C)C2=O)C=C1
null
1-(2-{[2-bromo-4-(4-cyclopropyl-3-ethylthiophen-2-yl)phenoxy]methyl}-3-chlorophenyl)-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C27H28ClF6N3O3/c28-21-5-3-16(4-6-21)10-17-2-1-8-37(14-17)15-18-7-9-40-24(38)23(18)36-25(39)35-22-12-19(26(29,30)31)11-20(13-22)27(32,33)34/h3-6,11-13,17-18,23H,1-2,7-10,14-15H2,(H2,35,36,39)
AONWWITZGAKKLJ-UHFFFAOYSA-N
FC(F)(F)C1=CC(=CC(NC(=O)NC2C(CN3CCCC(CC4=CC=C(Cl)C=C4)C3)CCOC2=O)=C1)C(F)(F)F
C27H28ClF6N3O3
null
null
3-[3,5-bis(trifluoromethyl)phenyl]-1-[4-({3-[(4-chlorophenyl)methyl]piperidin-1-yl}methyl)-2-oxooxan-3-yl]urea
null
null
null
InChI=1S/C28H48O4S/c1-19(2)8-7-9-20(3)23-13-16-28(6)25-11-10-21-18-22(32-33(29,30)31)12-15-26(21,4)24(25)14-17-27(23,28)5/h14,19-23,25H,7-13,15-18H2,1-6H3,(H,29,30,31)/t20-,21+,22+,23-,25-,26+,27-,28+/m1/s1
AOOBOVJNJXWCCH-OKNUAVKUSA-N
[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@]4([H])C[C@H](CC[C@]4(C)C3=CC[C@]12C)O[S](O)(=O)=O)[C@H](C)CCCC(C)C
C28H48O4S
[H]C1(CCC2(C)C3([H])CCC4([H])CC(CCC4(C)C3=CCC12C)OS(O)(=O)=O)C(C)CCCC(C)C
null
[(1R,3aS,3bS,5aS,7S,9aS,11aR)-3a,9a,11a-trimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid
null
null
null
InChI=1S/C21H17ClF2N2O4/c1-3-4-30-19(27)9-16(12-5-14(23)8-15(24)6-12)18(10-25)17-7-13(21(28)29-2)11-26-20(17)22/h3,5-8,11,16,18H,1,4,9H2,2H3/t16-,18-/m1/s1
AOOFCPZYAVJWPQ-SJLPKXTDSA-N
COC(=O)C1=CC([C@H](C#N)[C@H](CC(=O)OCC=C)C2=CC(F)=CC(F)=C2)=C(Cl)N=C1
C21H17ClF2N2O4
null
null
methyl 6-chloro-5-[(1R,2S)-1-cyano-2-(3,5-difluorophenyl)-4-oxo-4-(prop-2-en-1-yloxy)butyl]pyridine-3-carboxylate
null
null
null
InChI=1S/C24H21ClF3N5O2S/c1-4-14-9-21(36-13-15-7-5-6-8-20(15)33-23(34)32(2)30-31-33)18(24(26,27)28)12-17(14)19-10-16(25)11-22(29-19)35-3/h5-12H,4,13H2,1-3H3
AOOJJTUHGWIJSS-UHFFFAOYSA-N
CCC1=C(C=C(C(SCC2=C(C=CC=C2)N2N=NN(C)C2=O)=C1)C(F)(F)F)C1=CC(Cl)=CC(OC)=N1
C24H21ClF3N5O2S
null
null
1-[2-({[4-(4-chloro-6-methoxypyridin-2-yl)-5-ethyl-2-(trifluoromethyl)phenyl]sulfanyl}methyl)phenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C55H36O/c1-2-19-43(20-3-1)55(49-25-10-12-27-51(49)56-52-28-13-11-26-50(52)55)44-33-31-38(32-34-44)40-17-14-18-41(35-40)53-45-21-6-8-23-47(45)54(48-24-9-7-22-46(48)53)42-30-29-37-15-4-5-16-39(37)36-42/h1-36H
AOOJOOZQCZGSHY-UHFFFAOYSA-N
O1C2=CC=CC=C2C(C2=CC=CC=C2)(C2=CC=C(C=C2)C2=CC(=CC=C2)C2=C3C=CC=CC3=C(C3=CC4=C(C=CC=C4)C=C3)C3=C2C=CC=C3)C2=CC=CC=C12
C55H36O
O1C2=CC=CC=C2C(C2=CC=CC=C2)(C2=CC=C(C=C2)C2=CC(=CC=C2)C2=C3C=CC=CC3=C(C3=CC4=C(C=CC=C4)C=C3)C3=C2C=CC=C3)C2=CC=CC=C12
null
9-{3'-[10-(naphthalen-2-yl)anthracen-9-yl]-[1,1'-biphenyl]-4-yl}-9-phenyl-9H-xanthene
null
null
null
InChI=1S/C18H11F5N4O4S/c1-32(29,30)16-14(24-12-6-8(18(21,22)23)4-5-27(12)16)13-15(28)10-3-2-9(31-17(19)20)7-11(10)25-26-13/h2-7,17H,1H3,(H,25,28)
AOOLIGZEJONAGM-UHFFFAOYSA-N
C[S](=O)(=O)C1=C(N=C2C=C(C=CN12)C(F)(F)F)C1=NNC2=CC(OC(F)F)=CC=C2C1=O
C18H11F5N4O4S
null
null
7-(difluoromethoxy)-3-[3-methanesulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,4-dihydrocinnolin-4-one
null
null
null
InChI=1S/C19H23NO3S/c1-14-2-10-19(11-3-14)24(22,23)20-13-15-4-5-16-6-8-18(21)9-7-17(16)12-15/h2-4,10-11,20H,5-9,12-13H2,1H3
AOOPTSJWACLPFU-UHFFFAOYSA-N
CC1=CC=C(C=C1)S(=O)(=O)NCC2=CCC3=C(C2)CCC(=O)CC3
C19H23NO3S
CC1=CC=C(C=C1)S(=O)(=O)NCC2=CCC3=C(C2)CCC(=O)CC3
4-methyl-N-[(7-oxo-1,4,5,6,8,9-hexahydrobenzo[7]annulen-3-yl)methyl]benzenesulfonamide
4-methyl-N-({7-oxo-4,5,6,7,8,9-hexahydro-1H-benzo[7]annulen-2-yl}methyl)benzene-1-sulfonamide
{"alternativeParents":["CHEMONTID:0000031","CHEMONTID:0004233","CHEMONTID:0001585","CHEMONTID:0003137","CHEMONTID:0003487","CHEMONTID:0000278","CHEMONTID:0003940","CHEMONTID:0004150"],"directParent":"CHEMONTID:0004517","intermediateNodes":["CHEMONTID:0003276"],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aromati...
null
null
InChI=1S/C31H33FN6O3/c1-3-14-41-30-19(2)5-4-6-25(30)33-27(39)18-38-17-24(22-8-7-20-13-15-40-26(20)16-22)28(31-34-36-37-35-31)29(38)21-9-11-23(32)12-10-21/h4-12,16,24,28-29H,3,13-15,17-18H2,1-2H3,(H,33,39)(H,34,35,36,37)/t24-,28-,29+/m1/s1
AOORJDJSJJRYHV-USOMCTOXSA-N
CCCOC1=C(NC(=O)CN2C[C@@H]([C@H]([C@@H]2C2=CC=C(F)C=C2)C2=NN=NN2)C2=CC=C3CCOC3=C2)C=CC=C1C
C31H33FN6O3
null
null
2-[(2R,3R,4S)-4-(2,3-dihydro-1-benzofuran-6-yl)-2-(4-fluorophenyl)-3-(1H-1,2,3,4-tetrazol-5-yl)pyrrolidin-1-yl]-N-(3-methyl-2-propoxyphenyl)acetamide
null
null
null
InChI=1S/C24H32N10O8/c1-10(28-24-30-20-18(22(40)32-24)27-9-34(20)16-5-12(38)14(7-36)42-16)2-3-25-23-29-19-17(21(39)31-23)26-8-33(19)15-4-11(37)13(6-35)41-15/h8-16,35-38H,2-7H2,1H3,(H2,25,29,31,39)(H2,28,30,32,40)/t10-,11-,12-,13+,14+,15+,16+/m0/s1
AOOUXSHABNKIAS-WYVHVMBXSA-N
C[C@@H](CCNC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](CO)O1)NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](CO)O1
C24H32N10O8
CC(CCNC1=NC(=O)C2=C(N1)N(C=N2)C1CC(O)C(CO)O1)NC1=NC(=O)C2=C(N1)N(C=N2)C1CC(O)C(CO)O1
null
9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-{[(3S)-3-({9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-6,9-dihydro-3H-purin-2-yl}amino)butyl]amino}-6,9-dihydro-3H-purin-6-one
null
null
null
InChI=1S/C23H19F4N3O5/c1-35-17-9-13(24)3-5-15(17)19(23(25,26)27)29-20(32)11-2-4-14-12(8-11)10-30(22(14)34)16-6-7-18(31)28-21(16)33/h2-5,8-9,16,19H,6-7,10H2,1H3,(H,29,32)(H,28,31,33)/t16?,19-/m1/s1
AOOVKAIJEZFAIL-LRTDYKAYSA-N
COC1=C(C=CC(=C1)F)[C@H](C(F)(F)F)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3)C4CCC(=O)NC4=O
C23H19F4N3O5
COC1=C(C=CC(=C1)F)C(C(F)(F)F)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3)C4CCC(=O)NC4=O
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methoxyphenyl)ethyl]-3H-isoindole-5-carboxamide
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
null
null
null
InChI=1S/C18H17BrClN3OS2.C2HF3O2/c1-9-5-11(21)16(24-8-9)18-14(19)15-17(26-18)12(6-13(20)23-15)22-7-10-3-2-4-25-10;3-2(4,5)1(6)7/h2-4,6,11,16H,1,5,7-8,21H2,(H,22,23);(H,6,7)/t11-,16-;/m0./s1
AOPGKVZXQOWCSI-RISSCEEYSA-N
null
C20H18BrClF3N3O3S2
null
2-[(2S,3S)-3-amino-5-methylideneoxan-2-yl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2,2,2-trifluoroacetic acid
2-[(2S,3S)-3-amino-5-methylideneoxan-2-yl]-3-bromo-5-chloro-N-[(thiophen-2-yl)methyl]thieno[3,2-b]pyridin-7-amine; trifluoroacetic acid
null
null
null
InChI=1S/C48H84N16O19S/c1-4-23(2)37(47(82)83)64-46(81)32(22-66)63-40(75)25(8-5-6-17-49)57-41(76)27(11-13-33(51)67)59-45(80)31(21-65)62-42(77)28(12-15-36(71)72)58-44(79)30(20-34(52)68)61-43(78)29(16-19-84-3)60-39(74)26(9-7-18-55-48(53)54)56-38(73)24(50)10-14-35(69)70/h23-32,37,65-66H,4-22,49-50H2,1-3H3,(H2,51,67)(H2,52,...
AOPJAONXVFXKFX-QCRBASLRSA-N
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O
C48H84N16O19S
null
null
(2S,3S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-4-carboxybutanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]hexanamido]-3-hydroxypropanamido]-3-methylpentanoic ac...
null
null
null
InChI=1S/C17H17ClN8O2/c1-11(14(24-28-3)15-19-8-9-20-15)22-21-10-12-6-4-5-7-13(12)26-16(18)23-25(2)17(26)27/h4-10H,1-3H3,(H,19,20)/b21-10+,22-11+,24-14-
AOPOATNQLCENGO-KEWGGDNBSA-N
CO\N=C(\C(\C)=N\N=C\C1=C(C=CC=C1)N1C(Cl)=NN(C)C1=O)/C1=NC=CN1
C17H17ClN8O2
CON=C(C(C)=NN=CC1=C(C=CC=C1)N1C(Cl)=NN(C)C1=O)C1=NC=CN1
null
3-chloro-4-{2-[(1E)-[(E)-2-[(1Z)-1-(1H-imidazol-2-yl)-1-(methoxyimino)propan-2-ylidene]hydrazin-1-ylidene]methyl]phenyl}-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
null
null
null
InChI=1S/C21H26N2O/c1-4-18-12-9-13-19(5-2)21(18)23-20(24)14-16(3)22-15-17-10-7-6-8-11-17/h6-14,22H,4-5,15H2,1-3H3,(H,23,24)
AOPOFRXECFADPT-UHFFFAOYSA-N
CCC1=C(C(=CC=C1)CC)NC(=O)C=C(C)NCC2=CC=CC=C2
C21H26N2O
CCC1=C(C(=CC=C1)CC)NC(=O)C=C(C)NCC2=CC=CC=C2
3-(benzylamino)-N-(2,6-diethylphenyl)but-2-enamide
3-(benzylamino)-N-(2,6-diethylphenyl)but-2-enamide
{"alternativeParents":["CHEMONTID:0000185","CHEMONTID:0003282","CHEMONTID:0002673","CHEMONTID:0003899","CHEMONTID:0003890","CHEMONTID:0001663","CHEMONTID:0000347","CHEMONTID:0000470","CHEMONTID:0002228","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"directParent":"CHEMONTID:0000285","intermediateNodes":[...
null
null
InChI=1S/C8H10O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-2,6-7H,3-5H2/t6-,7-/m1/s1/i3D,4D/t3-,4+,6-,7-
AOPUFOXDCYPIBN-ZWGGAYQUSA-N
[H][C@@]12COC(=O)[C@]1([H])[C@@H]([2H])C=C[C@H]2[2H]
C8H10O2
null
null
(3aS,4R,7S,7aR)-1,3,3a,4,7,7a-hexahydro(4,7-²H₂)-2-benzofuran-1-one
null
null
null
InChI=1S/C24H29N3OSi/c1-5-18-16-27(17-28-12-13-29(2,3)4)24-23(18)21(10-11-25-24)20-14-19-8-6-7-9-22(19)26-15-20/h6-11,14-16H,5,12-13,17H2,1-4H3
AOPUROXLIYHRNJ-UHFFFAOYSA-N
CCC1=CN(COCC[Si](C)(C)C)C2=NC=CC(=C12)C1=CC2=C(C=CC=C2)N=C1
C24H29N3OSi
null
null
3-(3-ethyl-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline
null
null
null
InChI=1S/C23H25N2.C6H3N3O7.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h5-17H,1-4H3;1-2,10H;1H/q+1;;/p-1
AOPYXRUDZNLGQX-UHFFFAOYSA-M
[Cl-].OC1=C(C=C(C=C1[N](=O)=O)[N](=O)=O)[N](=O)=O.CN(C)C1=CC=C(C=C1)C(C1=CC=CC=C1)=C1C=CC(C=C1)=[N+](C)C
C29H28ClN5O7
[Cl-].OC1=C(C=C(C=C1N(=O)=O)N(=O)=O)N(=O)=O.CN(C)C1=CC=C(C=C1)C(C1=CC=CC=C1)=C1C=CC(C=C1)=[N+](C)C
null
2,4,6-trinitrophenol 4-{[4-(dimethylamino)phenyl](phenyl)methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride
null
null
null
InChI=1S/C45H84N18O12/c1-8-24(6)33(46)41(73)62-29(15-16-32(65)66)39(71)60-28(14-11-19-55-45(51)52)38(70)59-26(12-9-17-53-43(47)48)36(68)56-21-31(64)58-30(20-22(2)3)40(72)61-27(13-10-18-54-44(49)50)37(69)57-25(7)35(67)63-34(23(4)5)42(74)75/h22-30,33-34H,8-21,46H2,1-7H3,(H,56,68)(H,57,69)(H,58,64)(H,59,70)(H,60,71)(H,61,...
AOQDDFRHKGGMJL-YCKKPWGTSA-N
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O
C45H84N18O12
null
null
(4S)-4-[(2S,3S)-2-amino-3-methylpentanamido]-4-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-[({[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}ethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]butyl]carbamoyl}butyl]carbamoyl}butanoic acid
null
null
null
InChI=1S/C32H38FN5O/c1-23-18-24(19-30(34)35-23)20-36-16-12-32(33,13-17-36)31(39)37-14-10-27(11-15-37)38-21-25-6-2-4-8-28(25)29-9-5-3-7-26(29)22-38/h2-9,18-19,27H,10-17,20-22H2,1H3,(H2,34,35)
AOQFAUXVCMZDPB-UHFFFAOYSA-N
CC1=CC(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2CC3=CC=CC=C3C3=CC=CC=C3C2)=CC(N)=N1
C32H38FN5O
CC1=NC(=CC(=C1)CN2CCC(CC2)(C(=O)N3CCC(CC3)N4CC5=CC=CC=C5C6=CC=CC=C6C4)F)N
[1-[(2-amino-6-methylpyridin-4-yl)methyl]-4-fluoropiperidin-4-yl]-[4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)piperidin-1-yl]methanone
4-{[4-(4-{9-azatricyclo[9.4.0.0²,⁷]pentadeca-1(15),2,4,6,11,13-hexaen-9-yl}piperidine-1-carbonyl)-4-fluoropiperidin-1-yl]methyl}-6-methylpyridin-2-amine
{"alternativeParents":["CHEMONTID:0002312","CHEMONTID:0000335","CHEMONTID:0002357","CHEMONTID:0000283","CHEMONTID:0004152","CHEMONTID:0003899","CHEMONTID:0000069","CHEMONTID:0003886","CHEMONTID:0002448","CHEMONTID:0001664","CHEMONTID:0004144","CHEMONTID:0002239","CHEMONTID:0000347","CHEMONTID:0004139","CHEMONTID:000183...
{"us":1}
null
InChI=1S/C61H82N12O18/c1-30(2)23-43(56(85)71-46(61(90)91)25-36-17-19-38(75)20-18-36)68-57(86)44(26-37-28-63-41-16-12-11-15-39(37)41)69-58(87)45(27-49(79)80)70-59(88)50(31(3)4)72-53(82)33(6)65-55(84)42(21-22-48(77)78)67-47(76)29-64-52(81)32(5)66-60(89)51(34(7)74)73-54(83)40(62)24-35-13-9-8-10-14-35/h8-20,28,30-34,40,42-...
AOQFZTYZGXMMNP-FIBUOPSZSA-N
[H]N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
C61H82N12O18
null
null
(4S)-4-{2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxybutanamido]propanamido]acetamido}-4-{[(1S)-1-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}eth...
null
null
null
InChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-11-13(2)12-16-14(3)15/h12H,4-11H2,1-3H3
AOQIUYCHJSXXFS-UHFFFAOYSA-N
CCCCCCCCCC(C)=COC(C)=O
C14H26O2
CCCCCCCCCC(C)=COC(C)=O
2-methylundec-1-enyl acetate
2-methylundec-1-en-1-yl acetate
null
{"ca":1,"ep":2,"in":1,"jp":1,"us":3}
null
InChI=1S/C15H16F3IN4O6S/c1-4-11-20-22(14(25)23(11)28-3)13(24)21-30(26,27)12-9(19)6-5-7-10(12)29-8(2)15(16,17)18/h5-8H,4H2,1-3H3,(H,21,24)
AOQJIVUWMUBXDO-UHFFFAOYSA-N
CCC1=NN(C(=O)N[S](=O)(=O)C2=C(OC(C)C(F)(F)F)C=CC=C2I)C(=O)N1OC
C15H16F3IN4O6S
CCC1=NN(C(=O)NS(=O)(=O)C2=C(OC(C)C(F)(F)F)C=CC=C2I)C(=O)N1OC
null
3-ethyl-N-{2-iodo-6-[(1,1,1-trifluoropropan-2-yl)oxy]benzenesulfonyl}-4-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carboxamide
null
null
null
InChI=1S/C10H15.C3H15B3P.Ir.H/c1-6-7(2)9(4)10(5)8(6)3;1-7(2,3)5-6(9-5)4-8-6;;/h1-5H3;5-6H,4H2,1-3H3;;/q-1;-2;+3;
AOQUQRMDPKVXIA-UHFFFAOYSA-N
C[P](C)(C)[BH]12[BH]34([BH2]([H]3)[Ir++]141345([H-])[C-]6(C)[C]1(=[C]3(C)[C]4(C)=[C]56C)C)[H]2
C13H31B3IrP
C[P](C)(C)[BH]12[BH]34([BH2]([H]3)[Ir++]141345([H-])[C-]6(C)[C]1(=[C]3(C)[C]4(C)=[C]56C)C)[H]2
null
null
null
null
null
InChI=1S/C13H16F3N5OS/c1-8(2)23(17)5-3-4-9-6-18-10(19-7-9)11-20-12(22-21-11)13(14,15)16/h6-8,17H,3-5H2,1-2H3
AOQYQVXGGFOJKC-UHFFFAOYSA-N
CC(C)[S](=N)CCCC1=CN=C(N=C1)C1=NOC(=N1)C(F)(F)F
C13H16F3N5OS
null
null
S-(propan-2-yl)-S-(3-{2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-5-yl}propyl)-λ⁴-sulfanimine
null
null
null
InChI=1S/C21H17F3N4O4S/c1-3-33(30,31)17-7-13(12-4-5-12)10-26-19(17)28-18(29)8-16(27-20(28)32-2)14-6-15(11-25-9-14)21(22,23)24/h4-12H,3H2,1-2H3
AOQZLSVZFVVYSN-UHFFFAOYSA-N
CC[S](=O)(=O)C1=C(N=CC(=C1)C1C=C1)N1C(=O)C=C(N=C1OC)C1=CN=CC(=C1)C(F)(F)F
C21H17F3N4O4S
null
null
3-[5-(cycloprop-2-en-1-yl)-3-(ethanesulfonyl)pyridin-2-yl]-2-methoxy-6-[5-(trifluoromethyl)pyridin-3-yl]-3,4-dihydropyrimidin-4-one
null
null
null
InChI=1S/C26H34N4O4/c1-5-18-9-7-8-10-21(18)30-23(31)22-15-20(24(32)34-6-2)28-29(22)16-26(30,4)25(33)27-19-13-11-17(3)12-14-19/h7-10,15,17,19H,5-6,11-14,16H2,1-4H3,(H,27,33)
AORBNWJVQOLJFL-UHFFFAOYSA-N
CCC1=CC=CC=C1N2C(=O)C3=CC(=NN3CC2(C)C(=O)NC4CCC(CC4)C)C(=O)OCC
C26H34N4O4
CCC1=CC=CC=C1N2C(=O)C3=CC(=NN3CC2(C)C(=O)NC4CCC(CC4)C)C(=O)OCC
ethyl 5-(2-ethylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
ethyl 5-(2-ethylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
{"alternativeParents":["CHEMONTID:0002350","CHEMONTID:0004817","CHEMONTID:0002279","CHEMONTID:0001664","CHEMONTID:0004144","CHEMONTID:0002452","CHEMONTID:0001663","CHEMONTID:0000160","CHEMONTID:0001238","CHEMONTID:0004139","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"directParent":"CHEMONTID:0000060","...
{"ep":1}
null
InChI=1S/C14H14Cl2F2N4O/c1-19-22(7-8-3-5-9(15)6-4-8)14(23)10-11(13(17)18)20-21(2)12(10)16/h3-6,13,19H,7H2,1-2H3
AORCEXHFALWANR-UHFFFAOYSA-N
CNN(CC1=CC=C(Cl)C=C1)C(=O)C1=C(Cl)N(C)N=C1C(F)F
C14H14Cl2F2N4O
CNN(CC1=CC=C(Cl)C=C1)C(=O)C1=C(Cl)N(C)N=C1C(F)F
null
5-chloro-N-[(4-chlorophenyl)methyl]-3-(difluoromethyl)-N',1-dimethyl-1H-pyrazole-4-carbohydrazide
null
null
null
InChI=1S/C15H12ClFIN3S/c1-3-21-14(10-5-4-9(17)6-11(10)18)13(15(16)20-21)12-7-19-8(2)22-12/h4-7H,3H2,1-2H3
AORCXOOUARALIZ-UHFFFAOYSA-N
CCN1N=C(Cl)C(C2=CN=C(C)S2)=C1C1=C(I)C=C(F)C=C1
C15H12ClFIN3S
null
null
5-[3-chloro-1-ethyl-5-(4-fluoro-2-iodophenyl)-1H-pyrazol-4-yl]-2-methyl-1,3-thiazole
null
null
null
InChI=1S/C17H15FN2O4/c1-10(2)6-7-22-16-14-12(15(21)24-16)4-3-5-13(14)23-17-19-8-11(18)9-20-17/h3-5,8-9,16H,1,6-7H2,2H3
AORHSCKPUNZDOC-UHFFFAOYSA-N
CC(=C)CCOC1OC(=O)C2=CC=CC(OC3=NC=C(F)C=N3)=C12
C17H15FN2O4
null
null
4-[(5-fluoropyrimidin-2-yl)oxy]-3-[(3-methylbut-3-en-1-yl)oxy]-1,3-dihydro-2-benzofuran-1-one
null
null
null
InChI=1S/C30H54N6S3/c1-13-19-22(16-31-25(37)34-28(4,5)6)20(14-2)24(18-33-27(39)36-30(10,11)12)21(15-3)23(19)17-32-26(38)35-29(7,8)9/h13-18H2,1-12H3,(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)
AOROMIOAFUFKQG-UHFFFAOYSA-N
CCC1=C(CNC(=S)NC(C)(C)C)C(CC)=C(CNC(=S)NC(C)(C)C)C(CC)=C1CNC(=S)NC(C)(C)C
C30H54N6S3
null
null
1-{[3,5-bis({[(tert-butylcarbamothioyl)amino]methyl})-2,4,6-triethylphenyl]methyl}-3-tert-butylthiourea
null
null
null
InChI=1S/C25H22F9NS2/c1-15-6-9-17(10-7-15)37-22(35-20-5-3-2-4-18(20)24(29,30)31)12-13-36-21-11-8-16(23(26,27)28)14-19(21)25(32,33)34/h2-5,8,11-15,17H,6-7,9-10H2,1H3/b13-12+,35-22?
AORTZISRXPXFCL-VKTAKBSVSA-N
CC1CCC(CC1)SC(\C=C\SC1=C(C=C(C=C1)C(F)(F)F)C(F)(F)F)=NC1=C(C=CC=C1)C(F)(F)F
C25H22F9NS2
null
null
(2E)-3-{[2,4-bis(trifluoromethyl)phenyl]sulfanyl}-1-[(4-methylcyclohexyl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]prop-2-en-1-imine
null
null
null
InChI=1S/C32H23ClF6N6O7S/c1-3-30(2,49)28(47)50-26(25(46)53-18-12-8-5-9-13-18)51-29(48)42-24-20(16-10-6-4-7-11-16)21(22-41-27(52-44-22)32(37,38)39)43-45(24)23-19(33)14-17(15-40-23)31(34,35)36/h4-15,26,49H,3H2,1-2H3,(H,42,48)
AORZCIIXBDPAOT-UHFFFAOYSA-N
CCC(C)(O)C(=O)OC(OC(=O)NC1=C(C(=NN1C1=C(Cl)C=C(C=N1)C(F)(F)F)C1=NOC(=N1)C(F)(F)F)C1=CC=CC=C1)C(=O)SC1=CC=CC=C1
C32H23ClF6N6O7S
null
null
1-[({1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-phenyl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-pyrazol-5-yl}carbamoyl)oxy]-2-oxo-2-(phenylsulfanyl)ethyl 2-hydroxy-2-methylbutanoate
null
null
null
InChI=1S/C22H32O6S/c1-3-4-5-6-10-13-22(29(25,26)19-11-8-7-9-12-19)15-18(23)14-20(22)21(24)16-28-17-27-2/h7-9,11-12,18,20-21,23-24H,3-6,14-17H2,1-2H3/t18-,20-,21+,22+/m1/s1
AORZSYIFKDXDCI-YJMBLLCNSA-N
[H][C@@]1(C[C@@H](O)C[C@]1(C#CCCCCC)[S](=O)(=O)C1=CC=CC=C1)[C@@H](O)COCOC
C22H32O6S
[H]C1(CC(O)CC1(C#CCCCCC)S(=O)(=O)C1=CC=CC=C1)C(O)COCOC
null
(1R,3S,4R)-3-(benzenesulfonyl)-3-(hept-1-yn-1-yl)-4-[(1R)-1-hydroxy-2-(methoxymethoxy)ethyl]cyclopentan-1-ol
null
null
null