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/C57H36N4/c1-4-16-37(17-5-1)41-31-33-52-51(36-41)54-49(57-59-55(38-18-6-2-7-19-38)58-56(60-57)39-20-8-3-9-21-39)28-15-29-53(54)61(52)43-23-14-22-40(34-43)42-30-32-48-46-26-11-10-24-44(46)45-25-12-13-27-47(45)50(48)35-42/h1-36H
AXGWOJBBUIYDNW-UHFFFAOYSA-N
C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=CC=CC(=C43)C5=NC(=NC(=N5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC(=C8)C9=CC1=C(C=C9)C2=CC=CC=C2C2=CC=CC=C21
C57H36N4
C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=CC=CC(=C43)C5=NC(=NC(=N5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC(=C8)C9=CC1=C(C=C9)C2=CC=CC=C2C2=CC=CC=C21
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-9-(3-triphenylen-2-ylphenyl)carbazole
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-9-[3-(triphenylen-2-yl)phenyl]-9H-carbazole
null
{"us":2}
null
InChI=1S/C17H16F2N2O4/c1-4-24-21-16(17(22)23-3)12-8-14(13(18)7-10(12)2)25-11-5-6-15(19)20-9-11/h5-9H,4H2,1-3H3/b21-16+
AXGXTHVZVYUEJE-LTGZKZEYSA-N
CCO\N=C(\C(=O)OC)C1=CC(OC2=CN=C(F)C=C2)=C(F)C=C1C
C17H16F2N2O4
null
null
methyl (2E)-2-(ethoxyimino)-2-{4-fluoro-5-[(6-fluoropyridin-3-yl)oxy]-2-methylphenyl}acetate
null
null
null
InChI=1S/C29H27NO3/c1-22-16-17-27-28(29(22)33-21-32-19-24-12-6-3-7-13-24)25-14-8-9-15-26(25)30(27)20-31-18-23-10-4-2-5-11-23/h2-17H,18-21H2,1H3
AXGZZKATILBPGN-UHFFFAOYSA-N
CC1=C(C2=C(C=C1)N(C3=CC=CC=C32)COCC4=CC=CC=C4)OCOCC5=CC=CC=C5
C29H27NO3
CC1=C(C2=C(C=C1)N(C3=CC=CC=C32)COCC4=CC=CC=C4)OCOCC5=CC=CC=C5
3-methyl-4-(phenylmethoxymethoxy)-9-(phenylmethoxymethyl)carbazole
4-[(benzyloxy)methoxy]-9-[(benzyloxy)methyl]-3-methyl-9H-carbazole
{"alternativeParents":["CHEMONTID:0004197","CHEMONTID:0002497","CHEMONTID:0002257","CHEMONTID:0002279","CHEMONTID:0004144","CHEMONTID:0004139","CHEMONTID:0001656","CHEMONTID:0004557","CHEMONTID:0000278","CHEMONTID:0004150"],"directParent":"CHEMONTID:0000210","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecul...
null
null
InChI=1S/C27H24N4O4/c1-5-18-11-13-19(14-12-18)25-28-15-21(24(32)23-17(3)29-31(6-2)27(23)34)26(33)30(25)16-20-9-7-8-10-22(20)35-4/h1,7-15,34H,6,16H2,2-4H3
AXHBLNDMNHNINW-UHFFFAOYSA-N
CCN1N=C(C)C(C(=O)C2=CN=C(N(CC3=C(OC)C=CC=C3)C2=O)C2=CC=C(C=C2)C#C)=C1O
C27H24N4O4
null
null
5-(1-ethyl-5-hydroxy-3-methyl-1H-pyrazole-4-carbonyl)-2-(4-ethynylphenyl)-3-[(2-methoxyphenyl)methyl]-3,4-dihydropyrimidin-4-one
null
null
null
InChI=1S/C9H11O2.3CH3.Sn/c1-7-5-4-6-8(10-2)9(7)11-3;;;;/h4-6H,1H2,2-3H3;3*1H3;
AXHBNRCSAORRPJ-UHFFFAOYSA-N
COC1=CC=CC(=C1OC)C[Sn](C)(C)C
C12H20O2Sn
COC1=CC=CC(=C1OC)C[Sn](C)(C)C
(2,3-dimethoxyphenyl)methyl-trimethylstannane
[(2,3-dimethoxyphenyl)methyl]trimethylstannane
null
null
null
InChI=1S/C16H26/c1-4-12-7-8-15-10-13(5-2)14(6-3)11-16(15)9-12/h4,12,15-16H,1,5-11H2,2-3H3/t12?,15-,16+/m1/s1
AXHCFDWILZLVTB-FQBWKYAWSA-N
[H][C@]12CCC(C[C@@]1([H])CC(CC)=C(CC)C2)C=C
C16H26
[H]C12CCC(CC1([H])CC(CC)=C(CC)C2)C=C
null
(4aR,8aS)-2-ethenyl-6,7-diethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
null
null
null
InChI=1S/C17H20N2O2/c1-4-7-12-13-9-6-11-19(13)14-8-5-10-15(21-3)16(14)17(20)18(12)2/h5-6,8-12H,4,7H2,1-3H3
AXHRBZNLHJSXHG-UHFFFAOYSA-N
CCCC1N(C)C(=O)C2=C(OC)C=CC=C2N2C=CC=C12
C17H20N2O2
null
null
11-methoxy-8-methyl-7-propyl-2,8-diazatricyclo[8.4.0.0²,⁶]tetradeca-1(14),3,5,10,12-pentaen-9-one
null
null
null
InChI=1S/C58H80N18O11S/c1-29(2)17-41(50(79)74-45(57(86)87)19-33-23-66-39-14-9-7-12-37(33)39)70-52(81)44(21-35-25-63-28-68-35)73-51(80)42(18-32-22-65-38-13-8-6-11-36(32)38)71-53(82)43(20-34-24-62-27-67-34)72-49(78)40(15-10-16-64-58(60)61)69-56(85)48(30(3)4)76-54(83)46(26-88)75-55(84)47(59)31(5)77/h6-9,11-14,22-25,27-31,...
AXHRZXKQXMRJDI-VPJRKLBYSA-N
CC(C)C[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O
C58H80N18O11S
null
null
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-methylbutanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-5-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-5-yl)propanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanoic ac...
null
null
null
InChI=1S/C19H19NO2S/c1-3-22-17-11-7-5-9-14(17)18-16(12-21)20-15-10-6-4-8-13(15)19(18)23-2/h4-11,21H,3,12H2,1-2H3
AXHWLICKCKQRNL-UHFFFAOYSA-N
CCOC1=C(C=CC=C1)C1=C(SC)C2=C(C=CC=C2)N=C1CO
C19H19NO2S
null
null
[3-(2-ethoxyphenyl)-4-(methylsulfanyl)quinolin-2-yl]methanol
null
null
null
InChI=1S/C22H22F3N3O4/c1-12-9-18(31-11-15-16(23)6-5-7-17(15)26-22(29)30-4)13(2)8-14(12)20-19(32-21(24)25)10-28(3)27-20/h5-10,21H,11H2,1-4H3,(H,26,29)
AXHZWYUJGYRLAD-UHFFFAOYSA-N
COC(=O)NC1=C(COC2=CC(C)=C(C=C2C)C2=NN(C)C=C2OC(F)F)C(F)=CC=C1
C22H22F3N3O4
null
null
methyl N-[2-({4-[4-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-2,5-dimethylphenoxy}methyl)-3-fluorophenyl]carbamate
null
null
null
InChI=1S/C14H9BrFN5O3S/c1-25(22,23)9-2-11(24-14-19-3-8(15)4-20-14)13(18-5-9)12-10(16)6-17-7-21-12/h2-7H,1H3
AXIDTZJCVCWRKB-UHFFFAOYSA-N
C[S](=O)(=O)C1=CC(OC2=NC=C(Br)C=N2)=C(N=C1)C1=NC=NC=C1F
C14H9BrFN5O3S
null
null
4-{3-[(5-bromopyrimidin-2-yl)oxy]-5-methanesulfonylpyridin-2-yl}-5-fluoropyrimidine
null
null
null
InChI=1S/C25H23ClF4N4O4/c1-5-36-23-16(10-22(26)38-23)15-9-18(25(28,29)30)21(11-19(15)27)37-12-17-14(13(2)3)7-6-8-20(17)34-24(35)33(4)31-32-34/h6-11,13H,5,12H2,1-4H3
AXIFIJBNVBRMCC-UHFFFAOYSA-N
CCOC1=C(C=C(Cl)O1)C1=CC(=C(OCC2=C(C=CC=C2C(C)C)N2N=NN(C)C2=O)C=C1F)C(F)(F)F
C25H23ClF4N4O4
null
null
1-(2-{[4-(5-chloro-2-ethoxyfuran-3-yl)-5-fluoro-2-(trifluoromethyl)phenoxy]methyl}-3-(propan-2-yl)phenyl)-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C18H17F4N5O/c1-2-3-13(26-17-25-8-10(7-23)16(24)27-17)14-5-9-4-11(19)6-12(15(9)28-14)18(20,21)22/h4,6,8,13-14H,2-3,5H2,1H3,(H3,24,25,26,27)
AXIJROCGTKJWKJ-UHFFFAOYSA-N
CCCC(NC1=NC=C(C#N)C(N)=N1)C1CC2=CC(F)=CC(=C2O1)C(F)(F)F
C18H17F4N5O
null
null
4-amino-2-({1-[5-fluoro-7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]butyl}amino)pyrimidine-5-carbonitrile
null
null
null
InChI=1S/C15H12Cl3N3O/c1-6-13(18)12-14(20-7(2)21-15(12)19-6)8-4-11(22-3)10(17)5-9(8)16/h4-5H,1-3H3,(H,19,20,21)
AXILFFFRRPESNK-UHFFFAOYSA-N
CC1=C(C2=C(N=C(N=C2N1)C)C3=CC(=C(C=C3Cl)Cl)OC)Cl
C15H12Cl3N3O
CC1=C(C2=C(N=C(N=C2N1)C)C3=CC(=C(C=C3Cl)Cl)OC)Cl
5-chloro-4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
5-chloro-4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
{"alternativeParents":["CHEMONTID:0004415","CHEMONTID:0004742","CHEMONTID:0004113","CHEMONTID:0002564","CHEMONTID:0000138","CHEMONTID:0000128","CHEMONTID:0002257","CHEMONTID:0001030","CHEMONTID:0004144","CHEMONTID:0004139","CHEMONTID:0000278","CHEMONTID:0001516","CHEMONTID:0004150"],"directParent":"CHEMONTID:0002308","...
null
null
InChI=1S/C28H39FN4O17P2S2/c1-11(34)42-7-16(29)19-20(44-12(2)35)21(45-13(3)36)22(46-14(4)37)27(48-19)49-51(39,40)50-52(41,53)43-8-17-24(31-6)28(5,38)25(47-17)15-9-54-23-18(15)32-10-33-26(23)30/h9-10,16-17,19-22,24-25,27,31,38H,7-8H2,1-6H3,(H,39,40)(H,41,53)(H2,30,32,33)/t16-,17+,19+,20+,21-,22-,24+,25-,27-,28+,52?/m0/s1
AXIMNEGGYZQQNC-QQHPBOCDSA-N
[H][C@@]1(O[C@@H](O[P](O)(=O)O[P](S)(=O)OC[C@H]2O[C@@H](C3=CSC4=C(N)N=CN=C34)[C@](C)(O)[C@@H]2NC)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)[C@@H](F)COC(C)=O
C28H39FN4O17P2S2
null
null
[({[(2S,3R,4R,5S)-5-{4-aminothieno[3,2-d]pyrimidin-7-yl}-4-hydroxy-4-methyl-3-(methylamino)oxolan-2-yl]methoxy}(sulfanyl)phosphoryl)oxy]({[(2S,3S,4S,5S,6S)-3,4,5-tris(acetyloxy)-6-[(1S)-2-(acetyloxy)-1-fluoroethyl]oxan-2-yl]oxy})phosphinic acid
null
null
null
InChI=1S/C26H28F2N6O4S2/c27-19-4-3-5-20(28)22(19)23(36)24-25(29)31-26(39-24)30-17-6-8-18(9-7-17)40(37,38)34-14-12-32(13-15-34)16-21(35)33-10-1-2-11-33/h3-9H,1-2,10-16,29H2,(H,30,31)
AXIYDIBRZUOROW-UHFFFAOYSA-N
NC1=C(SC(NC2=CC=C(C=C2)[S](=O)(=O)N2CCN(CC(=O)N3CCCC3)CC2)=N1)C(=O)C1=C(F)C=CC=C1F
C26H28F2N6O4S2
NC1=C(SC(NC2=CC=C(C=C2)S(=O)(=O)N2CCN(CC(=O)N3CCCC3)CC2)=N1)C(=O)C1=C(F)C=CC=C1F
null
2-[4-(4-{[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonyl)piperazin-1-yl]-1-(pyrrolidin-1-yl)ethan-1-one
null
null
null
InChI=1S/C24H20FN7O2S/c1-5-7-16-8-6-9-19(32-24(33)30(3)28-29-32)17(16)13-34-22-11-18(25)20(10-15(22)2)31-14-27-23(35-4)21(31)12-26/h6,8-11,14H,13H2,1-4H3
AXIYKDIDHYQBPS-UHFFFAOYSA-N
CSC1=C(C#N)N(C=N1)C1=CC(C)=C(OCC2=C(C=CC=C2C#CC)N2N=NN(C)C2=O)C=C1F
C24H20FN7O2S
null
null
1-(2-fluoro-5-methyl-4-{[2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)-6-(prop-1-yn-1-yl)phenyl]methoxy}phenyl)-4-(methylsulfanyl)-1H-imidazole-5-carbonitrile
null
null
null
InChI=1S/C20H20ClF2N5O/c1-11-6-7-28(24-11)18-15(22)8-13(9-16(18)23)10-27(14-4-5-14)20(29)17-12(2)25-26(3)19(17)21/h6-9,14H,4-5,10H2,1-3H3
AXIZKFFSVJMYAQ-UHFFFAOYSA-N
CN1N=C(C)C(C(=O)N(CC2=CC(F)=C(N3C=CC(C)=N3)C(F)=C2)C2CC2)=C1Cl
C20H20ClF2N5O
null
null
5-chloro-N-cyclopropyl-N-{[3,5-difluoro-4-(3-methyl-1H-pyrazol-1-yl)phenyl]methyl}-1,3-dimethyl-1H-pyrazole-4-carboxamide
null
null
null
InChI=1S/C21H21N3O5/c1-23-17-9-5-6-10-18(17)28-13-16(19(23)25)22-20(26)24-12-15(29-21(24)27)11-14-7-3-2-4-8-14/h2-10,15-16H,11-13H2,1H3,(H,22,26)/t15-,16-/m0/s1
AXJASRZDEZMYPZ-HOTGVXAUSA-N
CN1C2=CC=CC=C2OC[C@H](NC(=O)N2C[C@H](CC3=CC=CC=C3)OC2=O)C1=O
C21H21N3O5
null
null
(5S)-5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide
null
null
null
InChI=1S/C20H22N4O7S/c1-3-23(4-2)19(26)30-15-8-9-16-17(11-15)31-20(27)24(18(16)25)12-13-6-5-7-14(10-13)22-32(21,28)29/h5-11,22H,3-4,12H2,1-2H3,(H2,21,28,29)
AXJAWFLIPMDQBU-UHFFFAOYSA-N
CCN(CC)C(=O)OC1=CC=C2C(=O)N(CC3=CC(N[S](N)(=O)=O)=CC=C3)C(=O)OC2=C1
C20H22N4O7S
null
null
2,4-dioxo-3-{[3-(sulfamoylamino)phenyl]methyl}-3,4-dihydro-2H-1,3-benzoxazin-7-yl N,N-diethylcarbamate
null
null
null
InChI=1S/C20H16F3N7O3S/c1-2-34(32,33)18-16(26-19-25-8-13(10-29(18)19)28-6-5-12(24)9-28)30-17(31)14-7-11(20(21,22)23)3-4-15(14)27-30/h3-10,27H,2,24H2,1H3
AXJDFCKLSKYEEV-UHFFFAOYSA-N
CC[S](=O)(=O)C1=C(N=C2N=CC(=CN12)N1C=CC(N)=C1)N1NC2=CC=C(C=C2C1=O)C(F)(F)F
C20H16F3N7O3S
null
null
2-[6-(3-amino-1H-pyrrol-1-yl)-3-(ethanesulfonyl)imidazo[1,2-a]pyrimidin-2-yl]-5-(trifluoromethyl)-2,3-dihydro-1H-indazol-3-one
null
null
null
InChI=1S/C5H10ClNO2.C2HF3O2/c1-9-5(8)4(7)2-3-6;3-2(4,5)1(6)7/h4H,2-3,7H2,1H3;(H,6,7)/t4-;/m0./s1
AXJDMUCMUMIVOI-WCCKRBBISA-N
OC(=O)C(F)(F)F.COC(=O)[C@@H](N)CCCl
C7H11ClF3NO4
null
null
methyl (2S)-2-amino-4-chlorobutanoate; trifluoroacetic acid
null
null
null
InChI=1S/C23H32O2/c1-2-3-4-5-6-7-8-11-20-14-16-22(17-15-20)25-19-18-21-12-9-10-13-23(21)24/h9-10,12-17,24H,2-8,11,18-19H2,1H3
AXJLBWGHQNZEOT-UHFFFAOYSA-N
CCCCCCCCCC1=CC=C(OCCC2=C(O)C=CC=C2)C=C1
C23H32O2
null
null
2-[2-(4-nonylphenoxy)ethyl]phenol
null
null
null
InChI=1S/C32H43BrN8O5S/c1-5-21-18-25(28(44-4)19-26(21)41-14-12-40(13-15-41)22-8-10-39(3)11-9-22)37-32-35-20-23(33)31(38-32)36-24-6-7-27-29(46-17-16-45-27)30(24)47(42,43)34-2/h6-7,18-20,22,34H,5,8-17H2,1-4H3,(H2,35,36,37,38)
AXJNFKKTEDRGGA-UHFFFAOYSA-N
CCC1=CC(NC2=NC=C(Br)C(NC3=CC=C4OCCOC4=C3[S](=O)(=O)NC)=N2)=C(OC)C=C1N1CCN(CC1)C1CCN(C)CC1
C32H43BrN8O5S
null
null
6-{[5-bromo-2-({5-ethyl-2-methoxy-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl}amino)pyrimidin-4-yl]amino}-N-methyl-2,3-dihydro-1,4-benzodioxine-5-sulfonamide
null
null
null
InChI=1S/C24H23F3N4O4S2/c1-5-33-20-12-37-22(36-4)21(20)14-9-13(2)19(10-16(14)25)34-11-15-17(31-24(32)30(3)28-29-31)7-6-8-18(15)35-23(26)27/h6-10,12,23H,5,11H2,1-4H3
AXJOAUQZVJWGRQ-UHFFFAOYSA-N
CCOC1=CSC(SC)=C1C1=C(F)C=C(OCC2=C(C=CC=C2OC(F)F)N2N=NN(C)C2=O)C(C)=C1
C24H23F3N4O4S2
null
null
1-[3-(difluoromethoxy)-2-({4-[4-ethoxy-2-(methylsulfanyl)thiophen-3-yl]-5-fluoro-2-methylphenoxy}methyl)phenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C41H74N18O12/c1-20(52-32(64)24(10-5-15-49-39(42)43)54-31(63)23-9-4-14-48-23)30(62)57-27(19-60)35(67)55-25(11-6-16-50-40(44)45)33(65)53-21(2)37(69)59-18-8-13-28(59)36(68)56-26(12-7-17-51-41(46)47)34(66)58-29(22(3)61)38(70)71/h20-29,48,60-61H,4-19H2,1-3H3,(H,52,64)(H,53,65)(H,54,63)(H,55,67)(H,56,68)(H,57,62)(H,...
AXJUFJZBWQKKLJ-VPPKPDBSSA-N
C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(O)=O
C41H74N18O12
null
null
(2S,3R)-2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-{[(2S)-pyrrolidin-2-yl]formamido}pentanamido]propanamido]-3-hydroxypropanamido]pentanamido]propanoyl]pyrrolidin-2-yl]formamido}pentanamido]-3-hydroxybutanoic acid
null
null
null
InChI=1S/C41H42Cl2F6N2O4.ClH/c42-33-11-10-29(24-34(33)43)39(25-51(18-19-54-39)36(52)28-20-30(40(44,45)46)23-31(21-28)41(47,48)49)14-17-50-15-12-38(13-16-50)32-9-5-4-8-27(32)22-35(38)55-37(53)26-6-2-1-3-7-26;/h4-5,8-11,20-21,23-24,26,35H,1-3,6-7,12-19,22,25H2;1H/t35-,39-;/m0./s1
AXJZFHYOKAZXHI-XRFFYBMKSA-N
Cl.FC(F)(F)C1=CC(=CC(=C1)C(=O)N1CCO[C@@](CCN2CCC3(CC2)[C@H](CC2=CC=CC=C32)OC(=O)C2CCCCC2)(C1)C1=CC(Cl)=C(Cl)C=C1)C(F)(F)F
C41H43Cl3F6N2O4
null
null
(2S)-1'-{2-[(2R)-4-[3,5-bis(trifluoromethyl)benzoyl]-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl}-2,3-dihydrospiro[indene-1,4'-piperidin]-2-yl cyclohexanecarboxylate hydrochloride
null
null
null
InChI=1S/C32H28F2N6O3/c1-20-27-12-13-29(42)40(25-6-3-21(4-7-25)31(43)35-19-22-2-5-23(33)18-28(22)34)30(27)37-32(36-20)39-16-14-38(15-17-39)24-8-10-26(41)11-9-24/h2-13,18,41H,14-17,19H2,1H3,(H,35,43)
AXKAFYRJDGLUDA-UHFFFAOYSA-N
CC1=C2C=CC(=O)N(C3=CC=C(C=C3)C(=O)NCC3=C(F)C=C(F)C=C3)C2=NC(=N1)N1CCN(CC1)C1=CC=C(O)C=C1
C32H28F2N6O3
CC1=C2C=CC(=O)N(C2=NC(=N1)N3CCN(CC3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)C(=O)NCC6=C(C=C(C=C6)F)F
N-[(2,4-difluorophenyl)methyl]-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
N-[(2,4-difluorophenyl)methyl]-4-{2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxo-7H,8H-pyrido[2,3-d]pyrimidin-8-yl}benzamide
{"alternativeParents":["CHEMONTID:0003359","CHEMONTID:0001984","CHEMONTID:0004417","CHEMONTID:0000284","CHEMONTID:0003901","CHEMONTID:0000321","CHEMONTID:0004656","CHEMONTID:0001160","CHEMONTID:0004646","CHEMONTID:0001262","CHEMONTID:0001100","CHEMONTID:0001031","CHEMONTID:0004144","CHEMONTID:0000347","CHEMONTID:000016...
{"us":1}
null
InChI=1S/C16H14O6/c1-10(17)21-13-8-7-12(18)14-16(13,22-14)9-20-15(19)11-5-3-2-4-6-11/h2-8,13-14H,9H2,1H3/t13-,14-,16+/m0/s1
AXKDBNWUFVLOOM-AQNYYISZSA-N
[H][C@@]12O[C@]1(COC(=O)C1=CC=CC=C1)[C@@H](OC(C)=O)C=CC2=O
C16H14O6
null
null
[(1R,2S,6R)-2-(acetyloxy)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]methyl benzoate
null
null
null
InChI=1S/C29H28N8O3/c30-29-34-33-28(40-29)19-5-3-6-23(14-19)37-26(17-32-35-37)27(39)15-22-9-8-20(16-31-22)25-7-2-1-4-21(25)18-36-12-10-24(38)11-13-36/h1-9,14,16-17,24,38H,10-13,15,18H2,(H2,30,34)
AXKDDXYAOATNKH-UHFFFAOYSA-N
NC1=NN=C(O1)C1=CC=CC(=C1)N1N=NC=C1C(=O)CC1=CC=C(C=N1)C1=C(CN2CCC(O)CC2)C=CC=C1
C29H28N8O3
null
null
1-{1-[3-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]-1H-1,2,3-triazol-5-yl}-2-(5-{2-[(4-hydroxypiperidin-1-yl)methyl]phenyl}pyridin-2-yl)ethan-1-one
null
null
null
InChI=1S/C24H15F6NO5S/c1-35-22(32)21-10-14-6-5-13(15-7-17(25)12-18(8-15)36-23(26)27)9-20(14)31(21)37(33,34)19-4-2-3-16(11-19)24(28,29)30/h2-12,23H,1H3
AXKGXONNMWYLFO-UHFFFAOYSA-N
COC(=O)C1=CC2=CC=C(C=C2N1[S](=O)(=O)C1=CC(=CC=C1)C(F)(F)F)C1=CC(OC(F)F)=CC(F)=C1
C24H15F6NO5S
null
null
methyl 6-[3-(difluoromethoxy)-5-fluorophenyl]-1-[3-(trifluoromethyl)benzenesulfonyl]-1H-indole-2-carboxylate
null
null
null
InChI=1S/C14H20O2S/c15-13(14(16)9-5-2-6-10-14)11-17-12-7-3-1-4-8-12/h1,3-4,7-8,13,15-16H,2,5-6,9-11H2
AXKPNXDFGLNAOB-UHFFFAOYSA-N
C1CCC(CC1)(C(CSC2=CC=CC=C2)O)O
C14H20O2S
C1CCC(CC1)(C(CSC2=CC=CC=C2)O)O
1-(1-hydroxy-2-phenylsulfanylethyl)cyclohexan-1-ol
1-[1-hydroxy-2-(phenylsulfanyl)ethyl]cyclohexan-1-ol
{"alternativeParents":["CHEMONTID:0002359","CHEMONTID:0002647","CHEMONTID:0003863","CHEMONTID:0002279","CHEMONTID:0001670","CHEMONTID:0001292","CHEMONTID:0002467","CHEMONTID:0003260","CHEMONTID:0004150"],"directParent":"CHEMONTID:0004631","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aromat...
null
null
InChI=1S/C19H19ClFNO/c1-19(2,13-23-12-14-6-4-3-5-7-14)9-8-15-10-16(21)11-17(20)18(15)22/h3-7,10-11H,12-13,22H2,1-2H3
AXKRYJYMYOIJMC-UHFFFAOYSA-N
CC(C)(COCC1=CC=CC=C1)C#CC1=C(N)C(Cl)=CC(F)=C1
C19H19ClFNO
null
null
2-[4-(benzyloxy)-3,3-dimethylbut-1-yn-1-yl]-6-chloro-4-fluoroaniline
null
null
null
InChI=1S/C103H166N38O26S4/c1-49(2)77(94(162)129-62(23-16-36-121-103(115)116)87(155)140-80(52(7)8)96(164)136-70(47-170)91(159)130-64(38-54-24-28-56(142)29-25-54)89(157)127-59(20-13-33-118-100(109)110)83(151)126-61(22-15-35-120-102(113)114)85(153)135-69(46-169)92(160)133-67(98(166)167)41-73(106)145)138-76(148)44-122-81(1...
AXKUPTSHOUUIKE-RILLOAMFSA-N
CC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN)C(C)C)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H...
C103H166N38O26S4
null
null
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-3-sulfanylpropanamido]acetamido}-5-carbamimidamidopentanamido]-3-methylbutanamido]-3-sulfanylpropanamido]-3-methylbutanamido]-3-(4-...
null
null
null
InChI=1S/C21H19BrF2N4O2S/c1-2-31-16-7-12-3-4-14(22)8-15(12)25-19(16)27-6-5-17-26-18(10-28(17)20(27)29)30-11-13-9-21(13,23)24/h3-4,7-8,10,13H,2,5-6,9,11H2,1H3
AXKVYSFSELEFTQ-UHFFFAOYSA-N
CCSC1=CC2=C(C=C(Br)C=C2)N=C1N1CCC2=NC(OCC3CC3(F)F)=CN2C1=O
C21H19BrF2N4O2S
null
null
6-[7-bromo-3-(ethylsulfanyl)quinolin-2-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-5H,6H,7H,8H-imidazo[1,2-c]pyrimidin-5-one
null
null
null
InChI=1S/C21H25N5O.ClH/c1-21(2,3)19(27)14-7-10-17-16(11-14)25-18(26(17)4)12-24-15-8-5-13(6-9-15)20(22)23;/h5-11,24H,12H2,1-4H3,(H3,22,23);1H
AXKXEAJSPSVYKH-UHFFFAOYSA-N
CC(C)(C)C(=O)C1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C(=N)N)C.Cl
C21H26ClN5O
CC(C)(C)C(=O)C1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C(=N)N)C.Cl
4-[[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]methylamino]benzenecarboximidamide;hydrochloride
4-({[5-(2,2-dimethylpropanoyl)-1-methyl-1H-1,3-benzodiazol-2-yl]methyl}amino)benzene-1-carboximidamide hydrochloride
null
null
null
InChI=1S/C19H21N5OS/c1-22(2)14-7-9-16(10-8-14)26-19-21-13-17(24(19)4)18(25)23(3)15-6-5-11-20-12-15/h5-13H,1-4H3
AXLBPFQVSGJPPT-UHFFFAOYSA-N
CN1C(=CN=C1SC2=CC=C(C=C2)N(C)C)C(=O)N(C)C3=CN=CC=C3
C19H21N5OS
CN1C(=CN=C1SC2=CC=C(C=C2)N(C)C)C(=O)N(C)C3=CN=CC=C3
2-[4-(dimethylamino)phenyl]sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
2-{[4-(dimethylamino)phenyl]sulfanyl}-N,1-dimethyl-N-(pyridin-3-yl)-1H-imidazole-5-carboxamide
null
null
null
InChI=1S/C18H28O8/c1-6-25-17(22)26-12-14(3)8-10-18(15(20)23-4,16(21)24-5)9-7-13(2)11-19/h7-8,19H,6,9-12H2,1-5H3/b13-7-,14-8+
AXLBRSQAMFWLAT-MFUUIURDSA-N
CCOC(=O)OC\C(C)=C\CC(C\C=C(\C)CO)(C(=O)OC)C(=O)OC
C18H28O8
null
null
1,3-dimethyl 2-[(2E)-4-[(ethoxycarbonyl)oxy]-3-methylbut-2-en-1-yl]-2-[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]propanedioate
null
null
null
InChI=1S/C24H16F5N5O4S/c1-2-39(37,38)22-20(30-19-6-5-18(31-34(19)22)14-7-10-32(36)11-8-14)33-12-9-15-13-16(3-4-17(15)21(33)35)23(25,26)24(27,28)29/h3-13H,2H2,1H3
AXLCLASYTDIWEX-UHFFFAOYSA-N
CC[S](=O)(=O)C1=C(N=C2C=CC(=NN12)C1=CC=[N](=O)C=C1)N1C=CC2=CC(=CC=C2C1=O)C(F)(F)C(F)(F)F
C24H16F5N5O4S
null
null
2-[3-(ethanesulfonyl)-6-(1-oxo-1λ⁵-pyridin-4-yl)imidazo[1,2-b]pyridazin-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)-1,2-dihydroisoquinolin-1-one
null
null
null
InChI=1S/C16H26ClN3/c1-10-6-4-5-7-13(10)14-15(17)19-20(3)16(14)18-11(2)12-8-9-12/h10-13,18H,4-9H2,1-3H3
AXLHNULUGCWLSD-UHFFFAOYSA-N
CC(NC1=C(C2CCCCC2C)C(Cl)=NN1C)C1CC1
C16H26ClN3
null
null
3-chloro-N-(1-cyclopropylethyl)-1-methyl-4-(2-methylcyclohexyl)-1H-pyrazol-5-amine
null
null
null
InChI=1S/C65H92N18O16/c1-36(2)24-46(80-63(98)50(29-41-31-71-35-75-41)83-62(97)49(28-40-30-70-34-74-40)76-52(87)32-73-64(99)55(90)54(89)53(88)51(86)33-84)59(94)78-44(17-11-23-72-65(68)69)58(93)81-47(26-37-12-5-3-6-13-37)60(95)77-43(16-9-10-22-66)57(92)82-48(27-38-14-7-4-8-15-38)61(96)79-45(56(67)91)25-39-18-20-42(85)21-...
AXLHWLHDAUFYJY-GZQYDQEZSA-N
CC(C)C[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(N)=O
C65H92N18O16
null
null
(2R,3S,4R,5R)-N-({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}pentyl]carbamoyl}-2-phenylethyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-2-(1H-imidazol...
null
null
null
InChI=1S/C16H20O4S/c1-11(2)15(16(17)20-5)13(4)10-21(18,19)14-8-6-12(3)7-9-14/h6-9,15H,1,4,10H2,2-3,5H3
AXLMDLLDHCRXSK-UHFFFAOYSA-N
COC(=O)C(C(C)=C)C(=C)C[S](=O)(=O)C1=CC=C(C)C=C1
C16H20O4S
null
null
methyl 3-methyl-2-[3-(4-methylbenzenesulfonyl)prop-1-en-2-yl]but-3-enoate
null
null
null
InChI=1S/C19H12F9N3O4S/c1-36-13-7-29-3-2-12(13)31-16(32)34-14(30-31)9-4-10(6-11(5-9)35-19(26,27)28)33-8-17(21,22)15(20)18(23,24)25/h2-7,15H,8H2,1H3
AXLNNFHPKFSUNZ-UHFFFAOYSA-N
CSC1=CN=CC=C1N1N=C(OC1=O)C1=CC(OCC(F)(F)C(F)C(F)(F)F)=CC(OC(F)(F)F)=C1
C19H12F9N3O4S
null
null
5-[3-(2,2,3,4,4,4-hexafluorobutoxy)-5-(trifluoromethoxy)phenyl]-3-[3-(methylsulfanyl)pyridin-4-yl]-2,3-dihydro-1,3,4-oxadiazol-2-one
null
null
null
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-6-11(7-14)10-4-9(5-10)8-15/h8-11H,4-7H2,1-3H3
AXLONVGAPBWQCA-UHFFFAOYSA-N
CC(C)(C)OC(=O)N1CC(C1)C2CC(C2)C=O
C13H21NO3
CC(C)(C)OC(=O)N1CC(C1)C2CC(C2)C=O
tert-butyl 3-(3-formylcyclobutyl)azetidine-1-carboxylate
tert-butyl 3-(3-formylcyclobutyl)azetidine-1-carboxylate
null
null
null
InChI=1S/C24H17ClF6N4O4S/c1-3-40(37,38)20-7-16(35-11-17(39-2)10-33-35)9-32-22(20)34-12-19(25)18(8-21(34)36)13-4-14(23(26,27)28)6-15(5-13)24(29,30)31/h4-12H,3H2,1-2H3
AXLSCUQURZOEBD-UHFFFAOYSA-N
CC[S](=O)(=O)C1=C(N=CC(=C1)N1C=C(OC)C=N1)N1C=C(Cl)C(=CC1=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
C24H17ClF6N4O4S
CCS(=O)(=O)C1=C(N=CC(=C1)N1C=C(OC)C=N1)N1C=C(Cl)C(=CC1=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
null
4-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-3'-(ethanesulfonyl)-5'-(4-methoxy-1H-pyrazol-1-yl)-2H-[1,2'-bipyridin]-2-one
null
null
null
InChI=1S/C20H20O6/c1-25-15-7-3-13(4-8-15)11-17(18(20(23)24)12-19(21)22)14-5-9-16(26-2)10-6-14/h3-11,18H,12H2,1-2H3,(H,21,22)(H,23,24)
AXLUGSQFBKQNAZ-UHFFFAOYSA-N
COC1=CC=C(C=C(C(CC(O)=O)C(O)=O)C2=CC=C(OC)C=C2)C=C1
C20H20O6
null
null
2-[1,2-bis(4-methoxyphenyl)ethenyl]butanedioic acid
null
null
null
InChI=1S/C23H18Cl2F2N2OS2/c1-13-28-19(22(26)27)20(31-13)23(30)29(15-8-9-15)12-11-16-17(32-21(25)18(16)24)10-7-14-5-3-2-4-6-14/h2-6,15,22H,8-9,11-12H2,1H3
AXLXMPLAXDOARZ-UHFFFAOYSA-N
CC1=NC(C(F)F)=C(S1)C(=O)N(CCC1=C(SC(Cl)=C1Cl)C#CC1=CC=CC=C1)C1CC1
C23H18Cl2F2N2OS2
null
null
N-cyclopropyl-N-{2-[4,5-dichloro-2-(2-phenylethynyl)thiophen-3-yl]ethyl}-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
null
null
null
InChI=1S/C14H8N6O5/c1-23-10-7-18-25-13(10)12-9(2-3-11(19-12)20(21)22)24-14-16-5-8(4-15)6-17-14/h2-3,5-7H,1H3
AXLZAJXPFORBKJ-UHFFFAOYSA-N
COC1=C(ON=C1)C1=C(OC2=NC=C(C=N2)C#N)C=CC(=N1)[N](=O)=O
C14H8N6O5
COC1=C(ON=C1)C1=C(OC2=NC=C(C=N2)C#N)C=CC(=N1)N(=O)=O
null
2-{[2-(4-methoxy-1,2-oxazol-5-yl)-6-nitropyridin-3-yl]oxy}pyrimidine-5-carbonitrile
null
null
null
InChI=1S/C16H18F2N2O2S2/c1-3-10-20-12(15(17)18)8-7-11(16(20)23)14-13(6-5-9-19-14)24(21,22)4-2/h5-9,15H,3-4,10H2,1-2H3
AXLZFZQTVCLHPY-UHFFFAOYSA-N
CCCN1C(=CC=C(C1=S)C1=C(C=CC=N1)[S](=O)(=O)CC)C(F)F
C16H18F2N2O2S2
null
null
6'-(difluoromethyl)-3-(ethanesulfonyl)-1'-propyl-1',2'-dihydro-[2,3'-bipyridine]-2'-thione
null
null
null
InChI=1S/C20H20BrNO7/c1-4-9-29-20-14(22(25)26)11-13(19(24)18(20)21)15(23)7-5-12-6-8-16(27-2)17(10-12)28-3/h5-8,10-11,24H,4,9H2,1-3H3/b7-5+
AXMCEXDJIOADDI-FNORWQNLSA-N
CCCOC1=C(C=C(C(=O)\C=C\C2=CC(OC)=C(OC)C=C2)C(O)=C1Br)[N](=O)=O
C20H20BrNO7
CCCOC1=C(C=C(C(=O)C=CC2=CC(OC)=C(OC)C=C2)C(O)=C1Br)N(=O)=O
null
(2E)-1-(3-bromo-2-hydroxy-5-nitro-4-propoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
null
null
null
InChI=1S/C32H37F5N4O4/c1-27(2,43)22-8-6-20(7-9-22)21-10-17-38-23(18-21)41(26(42)44-28(3,4)32(35,36)37)19-30-11-14-31(15-12-30,16-13-30)24-39-25(45-40-24)29(5,33)34/h6-10,17-18,43H,11-16,19H2,1-5H3
AXMGUYIYKXIXGL-UHFFFAOYSA-N
CC(C)(O)C1=CC=C(C=C1)C1=CC=NC(=C1)N(CC12CCC(CC1)(CC2)C1=NOC(=N1)C(C)(F)F)C(=O)OC(C)(C)C(F)(F)F
C32H37F5N4O4
CC(C)(C1=CC=C(C=C1)C2=CC(=NC=C2)N(CC34CCC(CC3)(CC4)C5=NOC(=N5)C(C)(F)F)C(=O)OC(C)(C)C(F)(F)F)O
(1,1,1-trifluoro-2-methylpropan-2-yl) N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-N-[4-[4-(2-hydroxypropan-2-yl)phenyl]pyridin-2-yl]carbamate
1,1,1-trifluoro-2-methylpropan-2-yl N-({4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-N-{4-[4-(2-hydroxypropan-2-yl)phenyl]pyridin-2-yl}carbamate
null
null
null
InChI=1S/C31H30N4O4/c1-31(2,3)22-13-7-8-16-25(22)38-29-24(15-10-18-32-29)34-30-35-28-23(14-9-17-26(28)39-30)33-27(36)20-37-19-21-11-5-4-6-12-21/h4-18H,19-20H2,1-3H3,(H,33,36)(H,34,35)
AXMHWOGBAJWSBG-UHFFFAOYSA-N
CC(C)(C)C1=C(OC2=C(NC3=NC4=C(NC(=O)COCC5=CC=CC=C5)C=CC=C4O3)C=CC=N2)C=CC=C1
C31H30N4O4
CC(C)(C)C1=CC=CC=C1OC2=C(C=CC=N2)NC3=NC4=C(C=CC=C4O3)NC(=O)COCC5=CC=CC=C5
N-[2-[[2-(2-tert-butylphenoxy)pyridin-3-yl]amino]-1,3-benzoxazol-4-yl]-2-phenylmethoxyacetamide
2-(benzyloxy)-N-(2-{[2-(2-tert-butylphenoxy)pyridin-3-yl]amino}-1,3-benzoxazol-4-yl)acetamide
{"alternativeParents":["CHEMONTID:0002811","CHEMONTID:0000302","CHEMONTID:0002542","CHEMONTID:0004742","CHEMONTID:0002341","CHEMONTID:0003282","CHEMONTID:0000283","CHEMONTID:0000083","CHEMONTID:0004144","CHEMONTID:0001663","CHEMONTID:0001167","CHEMONTID:0004140","CHEMONTID:0004139","CHEMONTID:0001831","CHEMONTID:000244...
{"jp":1,"us":1,"wo":1}
null
InChI=1S/C30H33F6N3O5/c1-18-3-2-4-20(11-18)16-39-10-7-24(25(15-26(39)40)27(41)37-43)28(42)38-8-5-19(6-9-38)17-44-23-13-21(29(31,32)33)12-22(14-23)30(34,35)36/h2-4,11-14,19,24-25,43H,5-10,15-17H2,1H3,(H,37,41)/t24-,25-/m0/s1
AXMHWSFOJBXKGC-DQEYMECFSA-N
CC1=CC=CC(CN2CC[C@@H]([C@H](CC2=O)C(=O)NO)C(=O)N2CCC(COC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CC2)=C1
C30H33F6N3O5
CC1=CC=CC(CN2CCC(C(CC2=O)C(=O)NO)C(=O)N2CCC(COC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CC2)=C1
null
(4S,5S)-5-(4-{[3,5-bis(trifluoromethyl)phenoxy]methyl}piperidine-1-carbonyl)-N-hydroxy-1-[(3-methylphenyl)methyl]-2-oxoazepane-4-carboxamide
null
null
null
InChI=1S/C14H17NO4/c1-15(2)6-7-18-13-9-11-10(8-12(13)17-3)4-5-14(16)19-11/h4-5,8-9H,6-7H2,1-3H3
AXMKAAONOXEVBX-UHFFFAOYSA-N
null
C14H17NO4
null
7-[2-(dimethylamino)ethoxy]-6-methoxychromen-2-one
7-[2-(dimethylamino)ethoxy]-6-methoxy-2H-chromen-2-one
null
null
null
InChI=1S/C23H16BrF4N5O3S/c1-11(2)12-3-6-16(24)17(9-12)37(35)19-15(23(26,27)28)5-4-14(18(19)25)20(34)31-22-33-32-21(36-22)13-7-8-29-30-10-13/h3-11H,1-2H3,(H,31,33,34)
AXMMLWSTUBDUQI-UHFFFAOYSA-N
CC(C)C1=CC=C(Br)C(=C1)[S](=O)C1=C(C=CC(C(=O)NC2=NN=C(O2)C2=CN=NC=C2)=C1F)C(F)(F)F
C23H16BrF4N5O3S
null
null
3-[2-bromo-5-(propan-2-yl)benzenesulfinyl]-2-fluoro-N-[5-(pyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethyl)benzamide
null
null
null
InChI=1S/C10H16O7/c1-5(11)16-9-7(12)8-6(3-14-4-15-8)17-10(9)13-2/h6-10,12H,3-4H2,1-2H3/t6-,7+,8-,9-,10+/m1/s1
AXMNGVLTWQEXLC-ZOZBQHSOSA-N
[H][C@@]12COCO[C@@]1([H])[C@H](O)[C@@H](OC(C)=O)[C@@H](OC)O2
C10H16O7
null
null
(4aR,6S,7R,8S,8aS)-8-hydroxy-6-methoxy-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl acetate
null
null
null
InChI=1S/C46H76N14O11/c1-25(2)21-31(40(65)57-32(22-28-13-7-6-8-14-28)41(66)54-29(15-9-10-18-47)39(64)58-33(45(70)71)23-35(49)61)56-38(63)27(5)53-42(67)34-17-12-20-60(34)44(69)30(16-11-19-52-46(50)51)55-43(68)37(26(3)4)59-36(62)24-48/h6-8,13-14,25-27,29-34,37H,9-12,15-24,47-48H2,1-5H3,(H2,49,61)(H,53,67)(H,54,66)(H,55,6...
AXMOYUOMSQLHOB-DNFQLDQNSA-N
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(O)=O
C46H76N14O11
null
null
(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-methylbutanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}propanamido]-4-methylpentanamido]-3-phenylpropanamido]hexanamido]-3-carbamoylpropanoic acid
null
null
null
InChI=1S/C9H18N4O4/c1-5(7(14)15)13-9(11)12-4-2-3-6(10)8(16)17/h5-6H,2-4,10H2,1H3,(H,14,15)(H,16,17)(H3,11,12,13)/t5-,6+/m1/s1
AXMTZCNNIBYFKI-RITPCOANSA-N
C[C@@H](NC(=N)NCCC[C@H](N)C(O)=O)C(O)=O
C9H18N4O4
null
null
(2S)-2-amino-5-{N'-[(1R)-1-carboxyethyl]carbamimidamido}pentanoic acid
null
null
null
InChI=1S/C22H21N3O4S2/c1-12-10-28-22(31-12)6-15(7-22)25-20(14-4-5-30-11-14)23-8-17(21(25)27)18(26)16-9-24-29-19(16)13-2-3-13/h4-5,8-9,11-13,15H,2-3,6-7,10H2,1H3
AXMWJBGYBBJVJX-UHFFFAOYSA-N
CC1COC2(CC(C2)N2C(=O)C(=CN=C2C2=CSC=C2)C(=O)C2=C(ON=C2)C2CC2)S1
C22H21N3O4S2
null
null
5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-3-{7-methyl-5-oxa-8-thiaspiro[3.4]octan-2-yl}-2-(thiophen-3-yl)-3,4-dihydropyrimidin-4-one
null
null
null
InChI=1S/C26H22F7N9O3S/c27-21(28)17-9-19(22(29)30)42(37-17)12-20(43)40-5-7-41(8-6-40)24-36-23(39-46-24)18-10-25(45-38-18,14-44-35-13-26(31,32)33)16-3-1-15(11-34)2-4-16/h1-4,9,13,21-22H,5-8,10,12,14H2
AXMWJBNBUWCZMW-UHFFFAOYSA-N
FC(F)C1=NN(CC(=O)N2CCN(CC2)C2=NC(=NS2)C2=NOC(CON=CC(F)(F)F)(C2)C2=CC=C(C=C2)C#N)C(=C1)C(F)F
C26H22F7N9O3S
null
null
4-{3-[5-(4-{2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}piperazin-1-yl)-1,2,4-thiadiazol-3-yl]-5-({[(2,2,2-trifluoroethylidene)amino]oxy}methyl)-4,5-dihydro-1,2-oxazol-5-yl}benzonitrile
null
null
null
InChI=1S/C18H22N2O2/c1-22-17(21)10-12-6-7-16-18-14(8-9-20(16)11-12)13-4-2-3-5-15(13)19-18/h2-5,12,16,19H,6-11H2,1H3/t12-,16+/m1/s1
AXMYDUOFAKRZSJ-ZEFNCDPZSA-N
[H][C@@]12CC[C@H](CC(=O)OC)CN1CCC1=C2NC2=CC=CC=C12
C18H22N2O2
null
null
methyl 2-[(3R,12bS)-1H,2H,3H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-3-yl]acetate
null
null
null
InChI=1S/C20H21ClN8S/c1-2-13-16(21)15-18(26-13)27-20(28-19(15)29-7-3-4-11(22)10-29)30-12-8-14-17(25-9-12)24-6-5-23-14/h5-6,8-9,11H,2-4,7,10,22H2,1H3,(H,26,27,28)
AXMYGXTZBDOWIQ-UHFFFAOYSA-N
CCC1=C(Cl)C2=C(N=C(SC3=CC4=C(N=CC=N4)N=C3)N=C2N1)N1CCCC(N)C1
C20H21ClN8S
CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCCC(N)C3)c2c1Cl
1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine
1-(5-chloro-6-ethyl-2-{pyrido[2,3-b]pyrazin-7-ylsulfanyl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine
{"alternativeParents":["CHEMONTID:0004405","CHEMONTID:0001859","CHEMONTID:0004415","CHEMONTID:0003901","CHEMONTID:0002357","CHEMONTID:0001262","CHEMONTID:0000089","CHEMONTID:0000067","CHEMONTID:0003886","CHEMONTID:0001030","CHEMONTID:0002257","CHEMONTID:0004144","CHEMONTID:0003260","CHEMONTID:0004139","CHEMONTID:000151...
null
null
InChI=1S/C37H68N8O10S2/c1-11-21(8)29(35(53)39-16-27(47)48)44-34(52)26(17-56)42-32(50)24(14-18(2)3)41-37(55)30(22(9)46)45-33(51)25(15-19(4)5)40-36(54)28(20(6)7)43-31(49)23(38)12-13-57-10/h18-26,28-30,46,56H,11-17,38H2,1-10H3,(H,39,53)(H,40,54)(H,41,55)(H,42,50)(H,43,49)(H,44,52)(H,45,51)(H,47,48)/t21-,22+,23-,24-,25-,26...
AXMYTQFJZXUSRH-KVWXUKITSA-N
CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)C(C)C)[C@@H](C)O)C(=O)NCC(O)=O
C37H68N8O10S2
null
null
2-[(2S,3S)-2-[(2R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-4-methylpentanamido]-3-hydroxybutanamido]-4-methylpentanamido]-3-sulfanylpropanamido]-3-methylpentanamido]acetic acid
null
null
null
InChI=1S/C62H56ClN3/c1-61(2,3)49-35-27-45(28-36-49)47-31-39-55(40-32-47)65(56-41-33-48(34-42-56)46-29-37-50(38-30-46)62(4,5)6)58-44-43-57(64(51-19-11-7-12-20-51)52-21-13-8-14-22-52)59(63)60(58)66(53-23-15-9-16-24-53)54-25-17-10-18-26-54/h7-44H,1-6H3
AXNBLIGLOMSGCN-UHFFFAOYSA-N
CC(C)(C)C1=CC=C(C=C1)C1=CC=C(C=C1)N(C1=CC=C(C=C1)C1=CC=C(C=C1)C(C)(C)C)C1=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C(Cl)=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1
C62H56ClN3
CC(C)(C)C1=CC=C(C=C1)C1=CC=C(C=C1)N(C1=CC=C(C=C1)C1=CC=C(C=C1)C(C)(C)C)C1=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C(Cl)=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1
null
N1,N1-bis({4'-tert-butyl-[1,1'-biphenyl]-4-yl})-3-chloro-N2,N2,N4,N4-tetraphenylbenzene-1,2,4-triamine
null
null
null
InChI=1S/C26H25N3O5/c1-32-19-10-7-16(8-11-19)22-23-25(29-18-9-12-20(13-18)33-14-21(30)31)27-15-28-26(23)34-24(22)17-5-3-2-4-6-17/h2-8,10-11,15,18,20H,9,12-14H2,1H3,(H,30,31)(H,27,28,29)/t18-,20+/m1/s1
AXNDLECRQRRFDV-QUCCMNQESA-N
COC1=CC=C(C=C1)C1=C(OC2=NC=NC(N[C@@H]3CC[C@@H](C3)OCC(O)=O)=C12)C1=CC=CC=C1
C26H25N3O5
COC1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)NC4CCC(C4)OCC(=O)O)C5=CC=CC=C5
2-[(1S,3R)-3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]oxyacetic acid
2-{[(1S,3R)-3-{[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino}cyclopentyl]oxy}acetic acid
{"alternativeParents":["CHEMONTID:0004416","CHEMONTID:0004742","CHEMONTID:0004113","CHEMONTID:0000138","CHEMONTID:0002458","CHEMONTID:0000128","CHEMONTID:0001262","CHEMONTID:0003886","CHEMONTID:0004144","CHEMONTID:0004176","CHEMONTID:0004140","CHEMONTID:0001137","CHEMONTID:0004139","CHEMONTID:0001167","CHEMONTID:000120...
{"us":2,"wo":2}
null
InChI=1S/C22H16FN3O4/c1-3-8-30-21(27)10-16(15-6-4-5-7-19(15)23)18(11-24)14-9-17(22(28)29-2)20(12-25)26-13-14/h4-7,9,13,16,18H,10H2,1-2H3/t16-,18-/m0/s1
AXNMIFVYXXKNRY-WMZOPIPTSA-N
COC(=O)C1=CC(=CN=C1C#N)[C@H](C#N)[C@@H](CC(=O)OC#CC)C1=C(F)C=CC=C1
C22H16FN3O4
null
null
methyl 2-cyano-5-[(1R,2R)-1-cyano-2-(2-fluorophenyl)-4-oxo-4-(prop-1-yn-1-yloxy)butyl]pyridine-3-carboxylate
null
null
null
InChI=1S/C29H50N2O3Se.C2HF3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-35-24-26(30)29(33)31-23-25-19-20-27(32)28(22-25)34-2;3-2(4,5)1(6)7/h10-11,19-20,22,26,32H,3-9,12-18,21,23-24,30H2,1-2H3,(H,31,33);(H,6,7)/b11-10-;/t26-;/m0./s1
AXNMSKUYWUWMQF-ZDAHPACKSA-N
CCCCCCCC/C=C\CCCCCCCC[Se]C[C@@H](C(=O)NCC1=CC(=C(C=C1)O)OC)N.C(=O)(C(F)(F)F)O
C31H51F3N2O5Se
CCCCCCCCC=CCCCCCCCC[Se]CC(C(=O)NCC1=CC(=C(C=C1)O)OC)N.C(=O)(C(F)(F)F)O
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(Z)-octadec-9-enyl]selanylpropanamide;2,2,2-trifluoroacetic acid
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(9Z)-octadec-9-en-1-ylselanyl]propanamide; trifluoroacetic acid
null
null
null
InChI=1S/C31H31Cl2N5O5/c1-5-26(39)35-21-16-19(38-13-11-37(6-2)12-14-38)8-9-20(21)34-25-10-7-18-15-24(43-31(18)36-25)30(40)27-28(32)22(41-3)17-23(42-4)29(27)33/h5,7-10,15-17H,1,6,11-14H2,2-4H3,(H,34,36)(H,35,39)
AXNSULYOQQGUFR-UHFFFAOYSA-N
CCN1CCN(CC1)C1=CC(NC(=O)C=C)=C(NC2=CC=C3C=C(OC3=N2)C(=O)C2=C(Cl)C(OC)=CC(OC)=C2Cl)C=C1
C31H31Cl2N5O5
CCN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC4=C(C=C3)C=C(O4)C(=O)C5=C(C(=CC(=C5Cl)OC)OC)Cl)NC(=O)C=C
N-[2-[[2-(2,6-dichloro-3,5-dimethoxybenzoyl)furo[2,3-b]pyridin-6-yl]amino]-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide
N-(2-{[2-(2,6-dichloro-3,5-dimethoxybenzoyl)furo[2,3-b]pyridin-6-yl]amino}-5-(4-ethylpiperazin-1-yl)phenyl)prop-2-enamide
null
null
null
InChI=1S/C11H12F3N3O3S/c12-11(13,14)10-16-9(17-20-10)7-4-15-8(19-7)5-21(18)6-2-1-3-6/h6-7H,1-5H2
AXNUDJYGKAUKPN-UHFFFAOYSA-N
FC(F)(F)C1=NC(=NO1)C1CN=C(C[S](=O)C2CCC2)O1
C11H12F3N3O3S
FC(F)(F)C1=NC(=NO1)C1CN=C(CS(=O)C2CCC2)O1
null
3-{2-[(cyclobutanesulfinyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl}-5-(trifluoromethyl)-1,2,4-oxadiazole
null
null
null
InChI=1S/C20H18ClN3O3S/c1-12-6-2-3-7-13(12)16(10-18(25)26)22-19(27)17-11-28-20(24-17)23-15-9-5-4-8-14(15)21/h2-9,11,16H,10H2,1H3,(H,22,27)(H,23,24)(H,25,26)/t16-/m0/s1
AXNWDEUTZCUVRB-INIZCTEOSA-N
CC1=CC=CC=C1[C@H](CC(=O)O)NC(=O)C2=CSC(=N2)NC3=CC=CC=C3Cl
C20H18ClN3O3S
CC1=CC=CC=C1C(CC(=O)O)NC(=O)C2=CSC(=N2)NC3=CC=CC=C3Cl
(3S)-3-[[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
(3S)-3-({2-[(2-chlorophenyl)amino]-1,3-thiazol-4-yl}formamido)-3-(2-methylphenyl)propanoic acid
{"alternativeParents":["CHEMONTID:0002551","CHEMONTID:0004817","CHEMONTID:0002008","CHEMONTID:0000284","CHEMONTID:0002634","CHEMONTID:0001091","CHEMONTID:0001099","CHEMONTID:0004003","CHEMONTID:0001030","CHEMONTID:0004144","CHEMONTID:0001663","CHEMONTID:0001205","CHEMONTID:0004139","CHEMONTID:0001137","CHEMONTID:000415...
{"us":1}
null
InChI=1S/C16H18O6/c1-9-7-10(2)14-11(8-9)22-16(15(14)21,5-3-12(17)18)6-4-13(19)20/h7-8H,3-6H2,1-2H3,(H,17,18)(H,19,20)
AXNYJRPRWSGOCZ-UHFFFAOYSA-N
CC1=CC(C)=C2C(OC(CCC(O)=O)(CCC(O)=O)C2=O)=C1
C16H18O6
null
null
3-[2-(2-carboxyethyl)-4,6-dimethyl-3-oxo-2,3-dihydro-1-benzofuran-2-yl]propanoic acid
null
null
null
InChI=1S/C18H15F3N6O/c1-3-14-13(8-22)16(24-9-23-14)25-10(2)15-26-17(28-27-15)11-4-6-12(7-5-11)18(19,20)21/h4-7,9-10H,3H2,1-2H3,(H,23,24,25)
AXOAKEAIUHQZJV-UHFFFAOYSA-N
CCC1=C(C#N)C(NC(C)C2=NOC(=N2)C2=CC=C(C=C2)C(F)(F)F)=NC=N1
C18H15F3N6O
null
null
4-ethyl-6-[(1-{5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)amino]pyrimidine-5-carbonitrile
null
null
null
InChI=1S/C25H23Cl2N5O3S/c1-5-34-23-18(13-36-24(23)14(2)3)16-9-20(27)22(10-19(16)26)35-12-17-15(11-28)7-6-8-21(17)32-25(33)31(4)29-30-32/h6-10,13-14H,5,12H2,1-4H3
AXOFTURZBAUZHI-UHFFFAOYSA-N
CCOC1=C(SC=C1C1=C(Cl)C=C(OCC2=C(C=CC=C2C#N)N2N=NN(C)C2=O)C(Cl)=C1)C(C)C
C25H23Cl2N5O3S
null
null
2-({2,5-dichloro-4-[4-ethoxy-5-(propan-2-yl)thiophen-3-yl]phenoxy}methyl)-3-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)benzonitrile
null
null
null
InChI=1S/C19H6BrF8IN2O2/c20-13-10(18(23,24)25)4-7(5-12(13)29)15-9(6-31(30-15)17(33)19(26,27)28)16(32)8-2-1-3-11(21)14(8)22/h1-6H
AXOGIVGQGDBINR-UHFFFAOYSA-N
FC1=CC=CC(C(=O)C2=CN(N=C2C2=CC(=C(Br)C(I)=C2)C(F)(F)F)C(=O)C(F)(F)F)=C1F
C19H6BrF8IN2O2
null
null
1-{3-[4-bromo-3-iodo-5-(trifluoromethyl)phenyl]-4-(2,3-difluorobenzoyl)-1H-pyrazol-1-yl}-2,2,2-trifluoroethan-1-one
null
null
null
InChI=1S/C24H24ClF2N7O3/c1-5-8-15-9-7-10-18(34-24(35)32(4)30-31-34)16(15)13-37-20-11-14(3)19(12-17(20)25)33-22(21(26)27)28-23(29-33)36-6-2/h5,7-12,21H,6,13H2,1-4H3
AXOIDSHLULUPLC-UHFFFAOYSA-N
CCOC1=NN(C(=N1)C(F)F)C1=C(C)C=C(OCC2=C(C=CC=C2C=CC)N2N=NN(C)C2=O)C(Cl)=C1
C24H24ClF2N7O3
null
null
1-[2-({2-chloro-4-[5-(difluoromethyl)-3-ethoxy-1H-1,2,4-triazol-1-yl]-5-methylphenoxy}methyl)-3-(prop-1-en-1-yl)phenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C24H26N4O5/c1-5-16-8-7-9-21(28-24(29)27(3)25-26-28)20(16)15-32-18-12-10-17(11-13-18)19-14-22(31-6-2)33-23(19)30-4/h7-14H,5-6,15H2,1-4H3
AXOKEZRREXUBML-UHFFFAOYSA-N
CCOC1=CC(=C(OC)O1)C1=CC=C(OCC2=C(C=CC=C2CC)N2N=NN(C)C2=O)C=C1
C24H26N4O5
null
null
1-(2-{[4-(5-ethoxy-2-methoxyfuran-3-yl)phenoxy]methyl}-3-ethylphenyl)-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C15H17ClF3NO4S2/c1-4-6-24-12-8-11(9-25-12)10(2)15(16,13(21)20-3)26(22,23)7-5-14(17,18)19/h1,8-10H,5-7H2,2-3H3,(H,20,21)
AXOKHUFBSLOXNE-UHFFFAOYSA-N
CNC(=O)C(Cl)(C(C)C1=CSC(OCC#C)=C1)[S](=O)(=O)CCC(F)(F)F
C15H17ClF3NO4S2
CNC(=O)C(Cl)(C(C)C1=CSC(OCC#C)=C1)S(=O)(=O)CCC(F)(F)F
null
2-chloro-N-methyl-3-[5-(prop-2-yn-1-yloxy)thiophen-3-yl]-2-(3,3,3-trifluoropropanesulfonyl)butanamide
null
null
null
InChI=1S/C22H35BrO2/c1-2-3-4-8-11-20-13-15-21(16-14-20)17-19-25-22(24)12-9-6-5-7-10-18-23/h13-16H,2-12,17-19H2,1H3
AXOOHNBSGFHUQC-UHFFFAOYSA-N
CCCCCCC1=CC=C(C=C1)CCOC(=O)CCCCCCCBr
C22H35BrO2
CCCCCCC1=CC=C(C=C1)CCOC(=O)CCCCCCCBr
2-(4-hexylphenyl)ethyl 8-bromooctanoate
2-(4-hexylphenyl)ethyl 8-bromooctanoate
null
null
null
InChI=1S/C45H74N14O18/c1-21(2)13-27(54-38(70)26(11-8-12-49-45(47)48)52-40(72)28(53-36(68)25(46)16-60)14-24-9-6-5-7-10-24)39(71)55-29(17-61)37(69)50-15-33(66)51-22(3)35(67)59-34(23(4)65)43(75)57-31(19-63)41(73)56-30(18-62)42(74)58-32(20-64)44(76)77/h5-7,9-10,21-23,25-32,34,60-65H,8,11-20,46H2,1-4H3,(H,50,69)(H,51,66)(H,...
AXOOZOJJORRYRW-NBMZRWDASA-N
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O
C45H74N14O18
null
null
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]-3-hydroxypropanamido]acetamido}propanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-hydroxypropanoic acid
null
null
null
InChI=1S/C17H15NO3/c1-3-13-10-18-8-7-16(13)17(11-21-17)14-5-4-6-15(9-14)20-12-19-2/h1,4-10H,11-12H2,2H3
AXOQEPBGMOTVHZ-UHFFFAOYSA-N
COCOC1=CC=CC(=C1)C1(CO1)C1=CC=NC=C1C#C
C17H15NO3
null
null
3-ethynyl-4-{2-[3-(methoxymethoxy)phenyl]oxiran-2-yl}pyridine
null
null
null
InChI=1S/C14H17.ClH.Mg/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14;;/h9-12H,3,5-8H2,1H3;1H;/q;;+1/p-1
AXOVKFVNSPNZJK-UHFFFAOYSA-M
CCCCCCC1=CC=C(C=C1)C#C[Mg]Cl
C14H17ClMg
CCCCCCC1=CC=C(C=C1)C#C[Mg]Cl
null
chloro[2-(4-hexylphenyl)ethynyl]magnesium
null
null
null
InChI=1S/C20H21ClN4O3S2/c1-3-25-19(14(2)24-30(27,28)17-11-9-16(21)10-12-17)22-23-20(25)29-13-18(26)15-7-5-4-6-8-15/h4-12,14,24H,3,13H2,1-2H3/t14-/m1/s1
AXOVPWZDXDFDKP-CQSZACIVSA-N
CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)[C@@H](C)NS(=O)(=O)C3=CC=C(C=C3)Cl
C20H21ClN4O3S2
CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C(C)NS(=O)(=O)C3=CC=C(C=C3)Cl
4-chloro-N-[(1R)-1-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
4-chloro-N-[(1R)-1-{4-ethyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl]benzene-1-sulfonamide
{"intermediateNodes":["CHEMONTID:0000118","CHEMONTID:0003670","CHEMONTID:0004296"],"alternativeParents":["CHEMONTID:0000031","CHEMONTID:0004233","CHEMONTID:0003671","CHEMONTID:0000321","CHEMONTID:0003863","CHEMONTID:0001099","CHEMONTID:0001585","CHEMONTID:0001030","CHEMONTID:0000099","CHEMONTID:0003137","CHEMONTID:0004...
{"us":2}
null
InChI=1S/C33H39N7O6/c1-39(2)33(43)46-25-14-11-22(12-15-25)19-26(29(41)42)35-31-36-30(34-21-24-9-7-6-8-10-24)37-32(38-31)40(3)18-17-23-13-16-27(44-4)28(20-23)45-5/h6-16,20,26H,17-19,21H2,1-5H3,(H,41,42)(H2,34,35,36,37,38)/t26-/m0/s1
AXOXBRAPBJKBHO-SANMLTNESA-N
CN(C)C(=O)OC1=CC=C(C=C1)C[C@@H](C(=O)O)NC2=NC(=NC(=N2)NCC3=CC=CC=C3)N(C)CCC4=CC(=C(C=C4)OC)OC
C33H39N7O6
CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC(=NC(=N2)NCC3=CC=CC=C3)N(C)CCC4=CC(=C(C=C4)OC)OC
(2S)-2-[[4-(benzylamino)-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid
(2S)-2-{[4-(benzylamino)-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-1,3,5-triazin-2-yl]amino}-3-{4-[(dimethylcarbamoyl)oxy]phenyl}propanoic acid
{"alternativeParents":["CHEMONTID:0004733","CHEMONTID:0002551","CHEMONTID:0004146","CHEMONTID:0004111","CHEMONTID:0000188","CHEMONTID:0004742","CHEMONTID:0003901","CHEMONTID:0000138","CHEMONTID:0002673","CHEMONTID:0000128","CHEMONTID:0004105","CHEMONTID:0004144","CHEMONTID:0001162","CHEMONTID:0001137","CHEMONTID:000120...
{"ca":1,"ep":2,"us":4,"wo":1}
null
InChI=1S/C28H33ClN4O3/c1-8-21-16(2)22-24(19-9-11-20(29)12-10-19)23(25(27(34)35)36-28(4,5)6)17(3)31-26(22)33(21)15-18-13-30-32(7)14-18/h9-14,25H,8,15H2,1-7H3,(H,34,35)/t25-/m0/s1
AXOYDDSZXHQYPF-VWLOTQADSA-N
CCC1=C(C2=C(C(=C(N=C2N1CC3=CN(N=C3)C)C)[C@@H](C(=O)O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C
C28H33ClN4O3
CCC1=C(C2=C(C(=C(N=C2N1CC3=CN(N=C3)C)C)C(C(=O)O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C
(2S)-2-[4-(4-chlorophenyl)-2-ethyl-3,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
(2S)-2-(tert-butoxy)-2-[4-(4-chlorophenyl)-2-ethyl-3,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid
null
null
null
InChI=1S/C20H18N8O/c1-12(26-18-16-17(23-10-22-16)24-11-25-18)19-27-13-6-5-9-21-20(13)28(19)14-7-3-4-8-15(14)29-2/h3-12H,1-2H3,(H2,22,23,24,25,26)/t12-/m0/s1
AXOZIDBQFCRYBH-LBPRGKRZSA-N
C[C@@H](C1=NC2=C(N1C3=CC=CC=C3OC)N=CC=C2)NC4=NC=NC5=C4NC=N5
C20H18N8O
CC(C1=NC2=C(N1C3=CC=CC=C3OC)N=CC=C2)NC4=NC=NC5=C4NC=N5
N-[(1S)-1-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine
N-[(1S)-1-[3-(2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine
{"alternativeParents":["CHEMONTID:0003454","CHEMONTID:0003999","CHEMONTID:0000328","CHEMONTID:0004742","CHEMONTID:0004113","CHEMONTID:0000138","CHEMONTID:0001262","CHEMONTID:0000128","CHEMONTID:0000089","CHEMONTID:0002311","CHEMONTID:0003886","CHEMONTID:0004144","CHEMONTID:0004139","CHEMONTID:0004150","CHEMONTID:000244...
{"ep":1,"wo":1}
null
InChI=1S/C12H10N2O2.C3H7NO.Ni/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16;1-4(2)3-5;/h1-8,15-16H;3H,1-2H3;/q;;+2/p-2
AXPCGRKNRLEORR-UHFFFAOYSA-L
CN(C)C=[O][Ni++]12[O-]C3=CC=CC=C3[N]1=NC1=CC=CC=C1[O-]2
C15H15N3NiO3
null
null
1-{[(dimethylamino)methylidene]oxo}-2λ³,17λ³-dioxa-9,10λ⁵-diaza-1-nickelatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-3,5,7,9,11,13,15-heptaene-1,1-bis(ylium)-2,17-diid-10-yl
null
null
null
InChI=1S/C10H14N6/c1-15-2-4-16(5-3-15)10-8-9(12-6-11-8)13-7-14-10/h6-7H,2-5H2,1H3,(H,11,12,13,14)
AXPCNBLIEMWMMG-UHFFFAOYSA-N
CN1CCN(CC1)C1=C2NC=NC2=NC=N1
C10H14N6
CN1CCN(c2ncnc3[nH]cnc23)CC1
6-(4-methylpiperazin-1-yl)-7H-purine
6-(4-methylpiperazin-1-yl)-7H-purine
{"alternativeParents":["CHEMONTID:0003454","CHEMONTID:0003901","CHEMONTID:0003358","CHEMONTID:0001262","CHEMONTID:0003886","CHEMONTID:0000078","CHEMONTID:0004144","CHEMONTID:0002239","CHEMONTID:0004139","CHEMONTID:0004557","CHEMONTID:0004150"],"directParent":"CHEMONTID:0003359","intermediateNodes":[],"kingdom":"CHEMONT...
{"ca":1,"sg":1,"us":2,"wo":2}
null
InChI=1S/C31H16BF15.C22H22Si.Zr/c1-11(2)5-3-4-6-12-7-9-13(10-8-12)32(14-17(33)23(39)29(45)24(40)18(14)34,15-19(35)25(41)30(46)26(42)20(15)36)16-21(37)27(43)31(47)28(44)22(16)38;1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22;/h4,6-11H,1,3,5H2,2H3;5-14H,1-4H3;/q2*-2;+4
AXPGONAULUWEJH-UHFFFAOYSA-N
[Si]1(C)(C)[C-]23[C]4=5[C]6([CH]7=[C]2([Zr+4]34672346([CH]7=[C]2([C-]13[C]41=CC=CC=[C]671)C)[CH2-]C(CCC=CC1=CC=[C-]([B+3]([C-]2=C(C(=C(C(F)=C2F)F)F)F)([C-]2=C(C(=C(C(F)=C2F)F)F)F)[C-]2=C(C(=C(C(F)=C2F)F)F)F)C=C1)C)C)=CC=CC=5
C53H38BF15SiZr
null
null
9,11,11,20-tetramethyl-1-(2-methyl-6-{4-[tris(2,3,4,5,6-pentafluorobenzen-1-uid-1-yl)-λ¹-boranetriiumyl]benzen-4-uid-1-yl}hex-5-en-1-uid-1-yl)-11-sila-1-zirconatridecacyclo[10.8.0.0¹,⁷.0¹,⁸.0¹,⁹.0¹,¹⁰.0¹,¹³.0¹,¹⁸.0¹,¹⁹.0²,⁷.0²,¹⁰.0¹²,²⁰.0¹³,¹⁸]icosa-2,4,6,8,13,15,17,19-octaene-1,1,1,1-tetrakis(ylium)-10,12-diuide
null
null
null
InChI=1S/C74H102N16O17/c1-42(2)35-54(67(102)87-55(36-43(3)4)71(106)90-74(32-14-15-33-74)72(107)89-57(40-46-21-12-7-13-22-46)69(104)83-51(28-30-59(76)92)65(100)84-53(62(77)97)38-44-17-8-5-9-18-44)86-68(103)56(39-45-19-10-6-11-20-45)88-66(101)52(29-31-60(93)94)82-64(99)50(23-16-34-80-73(78)79)81-70(105)58(41-61(95)96)85-...
AXPIQOGUUSHBEF-CSXZFWIZSA-N
CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(C)C)C(=O)NC1(CCCC1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O
C74H102N16O17
null
null
(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-5-carbamimidamidopentanamido]-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-[(1-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propyl]carbamoyl}-2-phenylethyl]carbamoyl}cyclopentyl)carbamoyl]-3-methylbutyl]carbamoyl}-3-m...
null
null
null
InChI=1S/C36H65N17O14/c1-16(47-28(60)18(3)48-32(64)22(14-54)49-25(57)12-37)27(59)45-13-26(58)46-17(2)29(61)53-23(15-55)33(65)50-19(6-4-10-43-35(39)40)30(62)51-20(8-9-24(38)56)31(63)52-21(34(66)67)7-5-11-44-36(41)42/h16-23,54-55H,4-15,37H2,1-3H3,(H2,38,56)(H,45,59)(H,46,58)(H,47,60)(H,48,64)(H,49,57)(H,50,65)(H,51,62)(H...
AXPJPYFFERNYPM-FTQGCKHGSA-N
C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
C36H65N17O14
null
null
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]propanamido]propanamido]acetamido}propanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanoic acid
null
null
null
InChI=1S/C16H11NO/c1-10-4-5-11-14(9-10)12-6-8-18-16(12)13-3-2-7-17-15(11)13/h2-9H,1H3
AXPKLRWVNNCKIN-UHFFFAOYSA-N
CC1=CC2=C3C=COC3=C3C=CC=NC3=C2C=C1
C16H11NO
null
null
9-methyl-3-oxa-14-azatetracyclo[11.4.0.0²,⁶.0⁷,¹²]heptadeca-1,4,6,8,10,12,14,16-octaene
null
null
null
InChI=1S/C25H23ClF3N5O3/c1-13(2)15-7-6-8-20(34-24(35)33(5)31-32-34)17(15)11-36-21-10-19(26)16(9-18(21)25(27,28)29)23-22(14(3)4)30-12-37-23/h6-10,12,14H,1,11H2,2-5H3
AXPSMCYYKUQTON-UHFFFAOYSA-N
CC(C)C1=C(OC=N1)C1=CC(=C(OCC2=C(C=CC=C2C(C)=C)N2N=NN(C)C2=O)C=C1Cl)C(F)(F)F
C25H23ClF3N5O3
CC(C)C1=C(OC=N1)C1=CC(=C(OCC2=C(C=CC=C2C(C)=C)N2N=NN(C)C2=O)C=C1Cl)C(F)(F)F
null
1-[2-({5-chloro-4-[4-(propan-2-yl)-1,3-oxazol-5-yl]-2-(trifluoromethyl)phenoxy}methyl)-3-(prop-1-en-2-yl)phenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C10H20N2O2/c1-3-11-12-6-4-5-10(12)9-14-8-7-13-2/h3,10H,4-9H2,1-2H3/b11-3+/t10-/m0/s1
AXPUFHKCWCCLIS-RGTFSGHUSA-N
COCCOC[C@@H]1CCCN1\N=C\C
C10H20N2O2
null
null
(1E)-N-[(2S)-2-[(2-methoxyethoxy)methyl]pyrrolidin-1-yl]ethan-1-imine
null
null
null
InChI=1S/C17H11F7N4O3/c1-29-9-5-25-15(26-6-9)30-12-4-2-3-11(16(20,21)22)13(12)28-8-10(7-27-28)31-17(23,24)14(18)19/h2-8,14H,1H3
AXPVRRKBLYLIBS-UHFFFAOYSA-N
COC1=CN=C(OC2=C(N3C=C(OC(F)(F)C(F)F)C=N3)C(=CC=C2)C(F)(F)F)N=C1
C17H11F7N4O3
null
null
5-methoxy-2-{2-[4-(1,1,2,2-tetrafluoroethoxy)-1H-pyrazol-1-yl]-3-(trifluoromethyl)phenoxy}pyrimidine
null
null
null
InChI=1S/C20H20IN3O4S/c1-5-24-20(25)17(18(19(21)23-24)28-29(4,26)27)16-13(10-22)9-12(3)15-8-11(2)6-7-14(15)16/h6-8,12H,5,9H2,1-4H3
AXPWYVXRQIYCSP-UHFFFAOYSA-N
CCN1N=C(I)C(O[S](C)(=O)=O)=C(C1=O)C1=C(CC(C)C2=CC(C)=CC=C12)C#N
C20H20IN3O4S
null
null
5-(2-cyano-4,6-dimethyl-3,4-dihydronaphthalen-1-yl)-1-ethyl-3-iodo-6-oxo-1,6-dihydropyridazin-4-yl methanesulfonate
null
null
null
InChI=1S/C15H10BrClF5NO3/c1-24-7-8-5-23-6-11(17)13(8)25-9-2-3-12(10(16)4-9)26-15(21,22)14(18,19)20/h2-6H,7H2,1H3
AXQDTICAAPHFCD-UHFFFAOYSA-N
COCC1=CN=CC(Cl)=C1OC1=CC(Br)=C(OC(F)(F)C(F)(F)F)C=C1
C15H10BrClF5NO3
null
null
4-[3-bromo-4-(1,1,2,2,2-pentafluoroethoxy)phenoxy]-3-chloro-5-(methoxymethyl)pyridine
null
null
null
InChI=1S/C24H25N4O3S.BrH/c1-15-12-17-13-20(30-3)21(31-4)14-19(17)22(16-6-8-18(29-2)9-7-16)28(15)23-25-24-27(26-23)10-5-11-32-24;/h6-9,12-14H,5,10-11H2,1-4H3;1H/q+1;/p-1
AXQJEMUEDCSKLY-UHFFFAOYSA-M
[Br-].COC1=CC=C(C=C1)C1=[N+](C2=NN3CCCSC3=N2)C(C)=CC2=C1C=C(OC)C(OC)=C2
C24H25BrN4O3S
[Br-].COC1=CC=C(C=C1)C1=[N+](C2=NN3CCCSC3=N2)C(C)=CC2=C1C=C(OC)C(OC)=C2
null
6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-2-{5H,6H,7H-[1,2,4]triazolo[3,2-b][1,3]thiazin-2-yl}-2λ⁵-isoquinolin-2-ylium bromide
null
null
null
InChI=1S/C40H62N10O15S2/c1-18(2)12-23(44-33(57)22(41)10-11-29(42)53)34(58)49-27(16-66)37(61)43-19(3)32(56)48-28(17-67)38(62)45-24(13-21-8-6-5-7-9-21)35(59)46-25(14-30(54)55)36(60)50-31(20(4)52)39(63)47-26(15-51)40(64)65/h5-9,18-20,22-28,31,51-52,66-67H,10-17,41H2,1-4H3,(H2,42,53)(H,43,61)(H,44,57)(H,45,62)(H,46,59)(H,4...
AXQKVCSFPXJRIP-RVCAYGKPSA-N
CC(C)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O
C40H62N10O15S2
null
null
(3S)-3-[(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-methylpentanamido]-3-sulfanylpropanamido]propanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-{[(1S,2R)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid
null
null
null
InChI=1S/C20H16F4N6O3/c1-28-9-15(11-3-5-12(21)6-4-11)25-19(28)32-10-13-16(30-20(31)29(2)26-27-30)8-7-14(22)17(13)33-18(23)24/h3-9,18H,10H2,1-2H3
AXQMIVLTMUPHGN-UHFFFAOYSA-N
CN1C=C(N=C1OCC1=C(C=CC(F)=C1OC(F)F)N1N=NN(C)C1=O)C1=CC=C(F)C=C1
C20H16F4N6O3
null
null
1-[3-(difluoromethoxy)-4-fluoro-2-({[4-(4-fluorophenyl)-1-methyl-1H-imidazol-2-yl]oxy}methyl)phenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C20H14ClF4N3O4S/c1-2-10-33(31)15-13(20(23,24)25)9-8-12(14(15)22)17(30)28(19-27-26-18(21)32-19)16(29)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
AXQPIRAOXXLIEL-UHFFFAOYSA-N
CCC[S](=O)C1=C(C=CC(C(=O)N(C(=O)C2=CC=CC=C2)C2=NN=C(Cl)O2)=C1F)C(F)(F)F
C20H14ClF4N3O4S
null
null
N-(5-chloro-1,3,4-oxadiazol-2-yl)-N-[2-fluoro-3-(propane-1-sulfinyl)-4-(trifluoromethyl)benzoyl]benzamide
null
null
null