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/C21H18O3/c1-3-13-24-21(14-15(2)16-9-5-4-6-10-16)19(22)17-11-7-8-12-18(17)20(21)23/h3-12H,1-2,13-14H2
BMGHDVARSQLTFW-UHFFFAOYSA-N
C=CCOC1(CC(=C)C2=CC=CC=C2)C(=O)C2=CC=CC=C2C1=O
C21H18O3
null
null
2-(2-phenylprop-2-en-1-yl)-2-(prop-2-en-1-yloxy)-2,3-dihydro-1H-indene-1,3-dione
null
null
null
InChI=1S/C22H24O5S/c1-3-26-22(25)21(28-14-13-16(2)23)15-20(24)17-9-11-19(12-10-17)27-18-7-5-4-6-8-18/h4-12,21H,3,13-15H2,1-2H3
BMGICZDOPNZVFB-UHFFFAOYSA-N
CCOC(=O)C(CC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)SCCC(C)=O
C22H24O5S
CCOC(=O)C(CC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)SCCC(C)=O
null
ethyl 4-oxo-2-[(3-oxobutyl)sulfanyl]-4-(4-phenoxyphenyl)butanoate
null
null
null
InChI=1S/C21H17Cl2FN4O3S/c1-11-10-32-20(19(11)30-3)12-7-15(23)18(8-16(12)24)31-9-13-14(22)5-4-6-17(13)28-21(29)27(2)25-26-28/h4-8,10H,9H2,1-3H3
BMGMNFGLSSVELA-UHFFFAOYSA-N
COC1=C(SC=C1C)C1=CC(Cl)=C(OCC2=C(C=CC=C2Cl)N2N=NN(C)C2=O)C=C1F
C21H17Cl2FN4O3S
null
null
1-(3-chloro-2-{[2-chloro-5-fluoro-4-(3-methoxy-4-methylthiophen-2-yl)phenoxy]methyl}phenyl)-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C22H28N4O/c1-15(2)11-20-16(3)21(25(4)24-20)26(22(27)19-9-6-10-19)14-18-8-5-7-17(12-18)13-23/h5,7-8,12,15,19H,6,9-11,14H2,1-4H3
BMGNYWPFOWVSGJ-UHFFFAOYSA-N
CC(C)CC1=NN(C)C(N(CC2=CC(=CC=C2)C#N)C(=O)C2CCC2)=C1C
C22H28N4O
null
null
N-[(3-cyanophenyl)methyl]-N-[1,4-dimethyl-3-(2-methylpropyl)-1H-pyrazol-5-yl]cyclobutanecarboxamide
null
null
null
InChI=1S/C58H34BN3/c1-2-16-38-35(14-1)15-11-21-39(38)36-30-32-37(33-31-36)46-34-53-54-58(57(46)60-49-26-7-3-17-40(49)41-18-4-8-27-50(41)60)62-52-29-10-6-20-43(52)45-23-13-25-48(56(45)62)59(54)47-24-12-22-44-42-19-5-9-28-51(42)61(53)55(44)47/h1-34H/i6D,10D,13D,20D,23D,25D,29D
BMGOHCFMCFHFLG-AYDXIKSESA-N
[2H]C1=C([2H])C([2H])=C2C(=C1[2H])N1C3=C2C([2H])=C([2H])C([2H])=C3B2C3=CC=CC4=C3N(C3=CC=CC=C43)C3=CC(C4=CC=C(C=C4)C4=CC=CC5=C4C=CC=C5)=C(N4C5=CC=CC=C5C5=CC=CC=C45)C1=C23
C58H34BN3
[2H]C1=C([2H])C([2H])=C2C(=C1[2H])N1C3=C2C([2H])=C([2H])C([2H])=C3B2C3=CC=CC4=C3N(C3=CC=CC=C43)C3=CC(C4=CC=C(C=C4)C4=CC=CC5=C4C=CC=C5)=C(N4C5=CC=CC=C5C5=CC=CC=C45)C1=C23
null
17-(9H-carbazol-9-yl)-16-[4-(naphthalen-1-yl)phenyl](21,22,23,24,27,28,29-²H₇)-13,19-diaza-1-boranonacyclo[16.12.1.1²,⁶.1¹⁹,²⁶.0⁷,¹².0¹⁴,³¹.0²⁰,²⁵.0¹³,³³.0³⁰,³²]tritriaconta-2,4,6(33),7,9,11,14,16,18(31),20,22,24,26(32),27,29-pentadecaene
null
null
null
InChI=1S/C27H33ClN4O2/c1-27(2,34)17-31-12-9-18-13-19(5-6-21(18)16-31)22-15-30-26-24(25(22)28)20(14-29-26)7-8-23(33)32-10-3-4-11-32/h5-6,13-15,34H,3-4,7-12,16-17H2,1-2H3,(H,29,30)
BMGRGKMAYDFURA-UHFFFAOYSA-N
CC(C)(O)CN1CCC2=CC(=CC=C2C1)C1=CN=C2NC=C(CCC(=O)N3CCCC3)C2=C1Cl
C27H33ClN4O2
CC(C)(O)CN1CCC2=CC(=CC=C2C1)C1=CN=C2NC=C(CCC(=O)N3CCCC3)C2=C1Cl
null
3-{4-chloro-5-[2-(2-hydroxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl}-1-(pyrrolidin-1-yl)propan-1-one
null
null
null
InChI=1S/C16H14IN5OS/c1-22-15(11-5-7-18-8-6-11)20-21-16(22)24-10-14(23)19-13-4-2-3-12(17)9-13/h2-9H,10H2,1H3,(H,19,23)
BMGRIMAMDWVFTP-UHFFFAOYSA-N
CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)I)C3=CC=NC=C3
C16H14IN5OS
CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)I)C3=CC=NC=C3
N-(3-iodophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(3-iodophenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
null
null
null
InChI=1S/C18H28BIO5/c1-17(2)18(3,4)25-19(24-17)15-5-7-16(8-6-15)23-14-13-22-12-11-21-10-9-20/h5-8H,9-14H2,1-4H3
BMGVTEMYRQBLQB-UHFFFAOYSA-N
CC1(C)OB(OC1(C)C)C1=CC=C(OCCOCCOCCI)C=C1
C18H28BIO5
null
null
2-(4-{2-[2-(2-iodoethoxy)ethoxy]ethoxy}phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
null
null
null
InChI=1S/C43H49N7O7/c44-15-19-54-20-21-55-22-23-56-24-25-57-29-40(51)46-33-10-11-38-39(26-33)50(43(53)48-38)34-13-17-49(18-14-34)28-30-6-8-32(9-7-30)41-35(31-4-2-1-3-5-31)27-36-37(47-41)12-16-45-42(36)52/h1-12,16,26-27,34H,13-15,17-25,28-29,44H2,(H,45,52)(H,46,51)(H,48,53)
BMGWOXIGEKVULT-UHFFFAOYSA-N
C1CN(CCC1N2C3=C(C=CC(=C3)NC(=O)COCCOCCOCCOCCN)NC2=O)CC4=CC=C(C=C4)C5=C(C=C6C(=N5)C=CNC6=O)C7=CC=CC=C7
C43H49N7O7
C1CN(CCC1N2C3=C(C=CC(=C3)NC(=O)COCCOCCOCCOCCN)NC2=O)CC4=CC=C(C=C4)C5=C(C=C6C(=N5)C=CNC6=O)C7=CC=CC=C7
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-oxo-3-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-5-yl]acetamide
14-amino-N-[2-oxo-3-(1-{[4-(5-oxo-3-phenyl-5,6-dihydro-1,6-naphthyridin-2-yl)phenyl]methyl}piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3,6,9,12-tetraoxatetradecanamide
null
null
null
InChI=1S/C22H19Cl2FO3/c1-10-5-6-12(17-15(24)8-13(23)9-16(17)25)7-14(10)18-19(26)11(2)20(27)22(3,4)21(18)28/h5-9,11,28H,1-4H3
BMGZCPQLKQCOAV-UHFFFAOYSA-N
CC1C(=O)C(=C(O)C(C)(C)C1=O)C1=CC(=CC=C1C)C1=C(Cl)C=C(Cl)C=C1F
C22H19Cl2FO3
null
null
4-{2',4'-dichloro-6'-fluoro-4-methyl-[1,1'-biphenyl]-3-yl}-5-hydroxy-2,6,6-trimethylcyclohex-4-ene-1,3-dione
null
null
null
InChI=1S/C25H17ClF3N5O4S2/c1-2-13-8-16-20(40-24(37)39-16)18(23(36)31-10-12-5-6-12)19(13)32-22(35)15-9-17(38-11-25(27,28)29)33-34(15)21-14(26)4-3-7-30-21/h1,3-4,7-9,12H,5-6,10-11H2,(H,31,36)(H,32,35)
BMHDWZUEQIIYGP-UHFFFAOYSA-N
FC(F)(F)COC1=NN(C(=C1)C(=O)NC1=C(C=C2SC(=O)SC2=C1C(=O)NCC1CC1)C#C)C1=C(Cl)C=CC=N1
C25H17ClF3N5O4S2
FC(F)(F)COC1=NN(C(=C1)C(=O)NC1=C(C=C2SC(=O)SC2=C1C(=O)NCC1CC1)C#C)C1=C(Cl)C=CC=N1
null
1-(3-chloropyridin-2-yl)-N-{4-[(cyclopropylmethyl)carbamoyl]-6-ethynyl-2-oxo-2H-1,3-benzodithiol-5-yl}-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxamide
null
null
null
InChI=1S/C21H23Cl2NO5/c1-12(2)29-19(21(26)27)9-13-4-7-18(28-3)17(8-13)24-20(25)10-14-5-6-15(22)11-16(14)23/h4-8,11-12,19H,9-10H2,1-3H3,(H,24,25)(H,26,27)
BMHFCGXDLVZYGT-UHFFFAOYSA-N
CC(C)OC(CC1=CC(=C(C=C1)OC)NC(=O)CC2=C(C=C(C=C2)Cl)Cl)C(=O)O
C21H23Cl2NO5
CC(C)OC(CC1=CC(=C(C=C1)OC)NC(=O)CC2=C(C=C(C=C2)Cl)Cl)C(=O)O
3-[3-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-methoxyphenyl]-2-propan-2-yloxypropanoic acid
3-{3-[2-(2,4-dichlorophenyl)acetamido]-4-methoxyphenyl}-2-(propan-2-yloxy)propanoic acid
{"intermediateNodes":[],"alternativeParents":["CHEMONTID:0002363","CHEMONTID:0000285","CHEMONTID:0003999","CHEMONTID:0004742","CHEMONTID:0003282","CHEMONTID:0004113","CHEMONTID:0000138","CHEMONTID:0002564","CHEMONTID:0000128","CHEMONTID:0001030","CHEMONTID:0001663","CHEMONTID:0001137","CHEMONTID:0001167","CHEMONTID:000...
null
null
InChI=1S/C25H36N6O4S/c1-17(2)16-19(20(32)22-29-30-24(35-22)36-15-14-31(3)4)27-23(34)25(10-6-5-7-11-25)28-21(33)18-8-12-26-13-9-18/h8-9,12-13,17,19H,5-7,10-11,14-16H2,1-4H3,(H,27,34)(H,28,33)
BMHFIYXEYDIOFZ-UHFFFAOYSA-N
CC(C)CC(NC(=O)C1(CCCCC1)NC(=O)C1=CC=NC=C1)C(=O)C1=NN=C(O1)SCCN(C)C
C25H36N6O4S
CC(C)CC(C(=O)C1=NN=C(O1)SCCN(C)C)NC(=O)C2(CCCCC2)NC(=O)C3=CC=NC=C3
N-[1-[[1-[5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclohexyl]pyridine-4-carboxamide
N-(1-{[1-(5-{[2-(dimethylamino)ethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-4-methyl-1-oxopentan-2-yl]carbamoyl}cyclohexyl)pyridine-4-carboxamide
null
null
null
InChI=1S/C16H20N6/c1-21(2)9-5-6-12-10-19-16-14(13-7-3-4-8-18-13)15(17)20-22(16)11-12/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H2,17,20)
BMHHORXACXGMAC-UHFFFAOYSA-N
CN(C)CCCC1=CN2C(=C(C(=N2)N)C3=CC=CC=N3)N=C1
C16H20N6
CN(C)CCCC1=CN2C(=C(C(=N2)N)C3=CC=CC=N3)N=C1
6-[3-(dimethylamino)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine
6-[3-(dimethylamino)propyl]-3-(pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-2-amine
{"intermediateNodes":[],"alternativeParents":["CHEMONTID:0004390","CHEMONTID:0003899","CHEMONTID:0000075","CHEMONTID:0003886","CHEMONTID:0000087","CHEMONTID:0004144","CHEMONTID:0002239","CHEMONTID:0004139","CHEMONTID:0002450","CHEMONTID:0004150"],"substituents":["2-pyrazolylpyridine","Pyrazolo[1,5-a]pyrimidine","Pyrazo...
{"us":1}
null
InChI=1S/C26H19BrClNO/c1-2-15-29-24(21-14-13-20(28)16-23(21)27)17-22(18-9-5-3-6-10-18)25(26(29)30)19-11-7-4-8-12-19/h2-14,16-17H,1,15H2
BMHJNMSIJBKXAQ-UHFFFAOYSA-N
ClC1=CC(Br)=C(C=C1)C1=CC(C2=CC=CC=C2)=C(C(=O)N1CC=C)C1=CC=CC=C1
C26H19BrClNO
null
null
6-(2-bromo-4-chlorophenyl)-3,4-diphenyl-1-(prop-2-en-1-yl)-1,2-dihydropyridin-2-one
null
null
null
InChI=1S/C45H75N9O18S/c1-9-23(6)35(46)43(69)50-27(12-16-33(59)60)40(66)48-26(11-15-32(57)58)39(65)49-28(13-17-34(61)62)41(67)54-36(22(4)5)44(70)51-25(10-14-31(55)56)38(64)47-24(7)37(63)53-30(20-21(2)3)42(68)52-29(45(71)72)18-19-73-8/h21-30,35-36H,9-20,46H2,1-8H3,(H,47,64)(H,48,66)(H,49,65)(H,50,69)(H,51,70)(H,52,68)(H,...
BMHJRBGTGOVERJ-VQRSKYSWSA-N
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(O)=O
C45H75N9O18S
null
null
(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-3-methylbutanamido]-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}butanoic acid
null
null
null
InChI=1S/C23H32N6O/c1-5-6-7-8-13-28(3)27-23(18(2)29-17-24-16-26-29)21-12-10-19(15-25-21)9-11-20-14-22(20)30-4/h10,12,15-18,20,22H,5-8,13-14H2,1-4H3
BMHKBFOHADBXBE-UHFFFAOYSA-N
CCCCCCN(C)N=C(C(C)N1C=NC=N1)C1=CC=C(C=N1)C#CC1CC1OC
C23H32N6O
null
null
2-[1-(2-hexyl-2-methylhydrazin-1-ylidene)-2-(1H-1,2,4-triazol-1-yl)propyl]-5-[2-(2-methoxycyclopropyl)ethynyl]pyridine
null
null
null
InChI=1S/C23H28ClNO.ClH/c24-21-9-8-20-7-6-17(14-23(26)22(20)15-21)16-25-12-10-19(11-13-25)18-4-2-1-3-5-18;/h1-5,8-9,15,17,19,23,26H,6-7,10-14,16H2;1H
BMHMDYYGTVTBRE-UHFFFAOYSA-N
Cl.OC1CC(CN2CCC(CC2)C2=CC=CC=C2)CCC2=CC=C(Cl)C=C12
C23H29Cl2NO
null
null
3-chloro-7-[(4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol hydrochloride
null
null
null
InChI=1S/C20H9BrClF9N4O2/c21-14-15(33-13-4-1-9(22)6-34(13)14)35-8-32-12-5-10(2-3-11(12)16(35)36)37-7-17(23,24)18(25,26)19(27,28)20(29,30)31/h1-6,8H,7H2
BMHPDVMPZRQBOT-UHFFFAOYSA-N
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC1=CC=C2C(=O)N(C=NC2=C1)C1=C(Br)N2C=C(Cl)C=CC2=N1
C20H9BrClF9N4O2
null
null
3-{3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl}-7-[(2,2,3,3,4,4,5,5,5-nonafluoropentyl)oxy]-3,4-dihydroquinazolin-4-one
null
null
null
InChI=1S/C28H18N4O2/c33-31-23-17-9-7-15-21(23)25(27(31)19-11-3-1-4-12-19)29-30-26-22-16-8-10-18-24(22)32(34)28(26)20-13-5-2-6-14-20/h1-18H
BMHSDADDKBKQKU-UHFFFAOYSA-N
O=[N]1=C(C(=NN=C2C3=CC=CC=C3[N](=O)=C2C2=CC=CC=C2)C2=CC=CC=C12)C1=CC=CC=C1
C28H18N4O2
null
null
3-[2-(1-oxo-2-phenyl-3H-1λ⁵-indol-3-ylidene)hydrazin-1-ylidene]-2-phenyl-3H-1λ⁵-indol-1-one
null
null
null
InChI=1S/C22H24ClN5O5/c1-22(2,20(30)31)27-17(29)12-33-21-24-16-11-15(23)18(25-19(16)26-21)13-3-5-14(6-4-13)28-7-9-32-10-8-28/h3-6,11H,7-10,12H2,1-2H3,(H,27,29)(H,30,31)(H,24,25,26)
BMHSUJTZAKHCGX-UHFFFAOYSA-N
CC(C)(C(=O)O)NC(=O)COC1=NC2=NC(=C(C=C2N1)Cl)C3=CC=C(C=C3)N4CCOCC4
C22H24ClN5O5
CC(C)(C(=O)O)NC(=O)COC1=NC2=NC(=C(C=C2N1)Cl)C3=CC=C(C=C3)N4CCOCC4
2-[[2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]acetyl]amino]-2-methylpropanoic acid
2-[2-({6-chloro-5-[4-(morpholin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl}oxy)acetamido]-2-methylpropanoic acid
{"intermediateNodes":["CHEMONTID:0000347","CHEMONTID:0000060","CHEMONTID:0001189","CHEMONTID:0002402"],"alternativeParents":["CHEMONTID:0002317","CHEMONTID:0000370","CHEMONTID:0000328","CHEMONTID:0000284","CHEMONTID:0003901","CHEMONTID:0000128","CHEMONTID:0001030","CHEMONTID:0000078","CHEMONTID:0004144","CHEMONTID:0001...
{"ep":1,"us":1}
null
InChI=1S/C25H34O4/c1-3-5-6-7-8-13-20-21-15-23(26)22(25(20)21)14-18-11-9-10-12-19(18)16-28-17-24(27)29-4-2/h8-13,20-22,25H,3-7,14-17H2,1-2H3/b13-8+/t20-,21+,22-,25-/m1/s1
BMHSVAAPUNSTFH-YWLVOUDBSA-N
[H][C@@]12CC(=O)[C@@H](CC3=C(COCC(=O)OCC)C=CC=C3)[C@]1([H])[C@@H]2\C=C\CCCCC
C25H34O4
[H]C12CC(=O)C(CC3=C(COCC(=O)OCC)C=CC=C3)C1([H])C2C=CCCCCC
null
ethyl 2-[(2-{[(1S,2S,5S,6R)-6-[(1E)-hept-1-en-1-yl]-3-oxobicyclo[3.1.0]hexan-2-yl]methyl}phenyl)methoxy]acetate
null
null
null
InChI=1S/C53H32N2S2/c1-3-9-50-43(7-1)45-27-21-36-19-25-41(31-47(36)52(45)56-50)55(42-26-20-37-22-28-46-44-8-2-4-10-51(44)57-53(46)48(37)32-42)40-23-17-34(18-24-40)33-11-13-35(14-12-33)39-16-15-38-6-5-29-54-49(38)30-39/h1-32H
BMHXXZWPUIIRIF-UHFFFAOYSA-N
C1=CC=C2C(=C1)C3=C(S2)C4=C(C=CC(=C4)N(C5=CC=C(C=C5)C6=CC=C(C=C6)C7=CC8=C(C=CC=N8)C=C7)C9=CC1=C(C=C9)C=CC2=C1SC1=CC=CC=C21)C=C3
C53H32N2S2
C1=CC=C2C(=C1)C3=C(S2)C4=C(C=CC(=C4)N(C5=CC=C(C=C5)C6=CC=C(C=C6)C7=CC8=C(C=CC=N8)C=C7)C9=CC1=C(C=C9)C=CC2=C1SC1=CC=CC=C21)C=C3
N-naphtho[1,2-b][1]benzothiol-2-yl-N-[4-(4-quinolin-7-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-2-amine
N-[4'-(quinolin-7-yl)-[1,1'-biphenyl]-4-yl]-N-{17-thiatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1,3,5,7,9,11,13,15-octaen-4-yl}-17-thiatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1,3,5,7,9,11,13,15-octaen-4-amine
null
null
null
InChI=1S/C24H28ClF2N5O/c1-13(2)19-15(7-6-8-17(19)18-12-30(4)28-14(18)3)11-32(16-9-10-16)24(33)20-21(23(26)27)29-31(5)22(20)25/h6-8,12-13,16,23H,9-11H2,1-5H3
BMHYQGMYXXKTMD-UHFFFAOYSA-N
CC(C)C1=C(CN(C2CC2)C(=O)C2=C(Cl)N(C)N=C2C(F)F)C=CC=C1C1=CN(C)N=C1C
C24H28ClF2N5O
null
null
5-chloro-N-cyclopropyl-3-(difluoromethyl)-N-{[3-(1,3-dimethyl-1H-pyrazol-4-yl)-2-(propan-2-yl)phenyl]methyl}-1-methyl-1H-pyrazole-4-carboxamide
null
null
null
InChI=1S/C17H27NO4/c1-6-11(18-12(16(21)22)7-10(2)3)15-13(19)8-17(4,5)9-14(15)20/h10,12,18H,6-9H2,1-5H3,(H,21,22)/t12-/m0/s1
BMICLQWYSNRTHE-LBPRGKRZSA-N
CCC(N[C@@H](CC(C)C)C(O)=O)=C1C(=O)CC(C)(C)CC1=O
C17H27NO4
null
null
(2S)-2-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)propyl]amino}-4-methylpentanoic acid
null
null
null
InChI=1S/C26H42O/c1-18(2)25(13-9-20(5)10-14-25)22-7-8-24(27)23(17-22)26(19(3)4)15-11-21(6)12-16-26/h7-8,17-21,27H,9-16H2,1-6H3
BMIDEJVKLZGWAY-UHFFFAOYSA-N
CC(C)C1(CCC(C)CC1)C1=CC=C(O)C(=C1)C1(CCC(C)CC1)C(C)C
C26H42O
CC(C)C1(CCC(C)CC1)C1=CC=C(O)C(=C1)C1(CCC(C)CC1)C(C)C
null
2,4-bis[4-methyl-1-(propan-2-yl)cyclohexyl]phenol
null
null
null
InChI=1S/3C20H44N.6C3H6O.28O.10V/c3*1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;6*1-3(2)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*5-20H2,1-4H3;6*1-2H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q3*+1;;;;;;;;;;;;;;;20*-2;8*+3;2*+5/p+3
BMIJQIICMYVVQD-UHFFFAOYSA-Q
[H+].[H+].[H+].CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.O=[V+3]1234[O--][V+5]5678[O--][V+3]9%10%11(=O)[O--][V+3]%12%13%14(=O)[O--][V+5]%15%16%17%18[O--][V+3]%19%20(=O)([O--]1)[O--][V+3]1%21(=O)([O--]2)[O--]5[V+3](=O)([O--]9)([O--]%12)([O--]%151)[O--]6%10%13%16[V+3]1(=O)([O--]%11)([O--]%14)[O--]7[V+3](=O)([O--]3)...
C78H171N3O34V10
null
null
trihydrogen octaoxotricosacyclo[7.7.5.1¹,³.1³,⁷.1³,¹⁸.1⁵,¹⁸.1⁵,²⁰.1⁹,¹¹.1⁹,¹⁵.1¹¹,¹⁵.1¹¹,²⁰.0¹,⁸.0¹,¹⁰.0²,⁵.0²,⁷.0²,¹⁸.0²,²⁰.0⁷,²¹.0¹⁰,¹³.0¹⁰,¹⁵.0¹⁰,²⁰.0¹³,¹⁷.0¹³,¹⁹]decavanadoxane-1,1,1,1,1,3,3,3,5,5,5,7,7,7,9,9,9,11,11,11,13,13,13,15,15,15,18,18,18,20,20,20,20,20-tetratriacontakis(ylium)-2,2,4,4,6,6,8,8,10,10,12,12,1...
null
null
null
InChI=1S/C25H24F4N4O2S2/c1-5-21-18(26)12-23(37-21)15-11-17(25(27,28)29)20(10-14(15)3)35-13-16-19(8-7-9-22(16)36-6-2)33-24(34)32(4)30-31-33/h7-12H,5-6,13H2,1-4H3
BMIJWEWSJRYYDC-UHFFFAOYSA-N
CCSC1=CC=CC(N2N=NN(C)C2=O)=C1COC1=C(C=C(C2=CC(F)=C(CC)S2)C(C)=C1)C(F)(F)F
C25H24F4N4O2S2
null
null
1-(2-{[4-(5-ethyl-4-fluorothiophen-2-yl)-5-methyl-2-(trifluoromethyl)phenoxy]methyl}-3-(ethylsulfanyl)phenyl)-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C20H18BrF5N4O2S/c1-4-33(32)18-16(28-15-6-5-12(21)10-29(15)18)30(11(2)3)17(31)13-7-8-27-9-14(13)19(22,23)20(24,25)26/h5-11H,4H2,1-3H3
BMIKFWLFMOLMOT-UHFFFAOYSA-N
CC[S](=O)C1=C(N=C2C=CC(Br)=CN12)N(C(C)C)C(=O)C1=CC=NC=C1C(F)(F)C(F)(F)F
C20H18BrF5N4O2S
CCS(=O)C1=C(N=C2C=CC(Br)=CN12)N(C(C)C)C(=O)C1=CC=NC=C1C(F)(F)C(F)(F)F
null
N-[6-bromo-3-(ethanesulfinyl)imidazo[1,2-a]pyridin-2-yl]-3-(1,1,2,2,2-pentafluoroethyl)-N-(propan-2-yl)pyridine-4-carboxamide
null
null
null
InChI=1S/C26H28F2N4O5/c1-5-8-17-14-18(21(6-2)36-17)16-11-12-23(24(13-16)34-4)35-15-19-20(32-26(33)31(3)29-30-32)9-7-10-22(19)37-25(27)28/h7,9-14,25H,5-6,8,15H2,1-4H3
BMINFFGVNGHYHD-UHFFFAOYSA-N
CCCC1=CC(=C(CC)O1)C1=CC(OC)=C(OCC2=C(C=CC=C2OC(F)F)N2N=NN(C)C2=O)C=C1
C26H28F2N4O5
null
null
1-[3-(difluoromethoxy)-2-{[4-(2-ethyl-5-propylfuran-3-yl)-2-methoxyphenoxy]methyl}phenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C26H27N5O4/c1-29(2)17-25-27-13-14-30(25)19-7-5-18(6-8-19)15-24(32)23-16-22(26(33)35-4)28-31(23)20-9-11-21(34-3)12-10-20/h5-14,16H,15,17H2,1-4H3
BMIODCANPFOKRI-UHFFFAOYSA-N
COC(=O)C1=NN(C(=C1)C(=O)CC1=CC=C(C=C1)N1C=CN=C1CN(C)C)C1=CC=C(OC)C=C1
C26H27N5O4
null
null
methyl 5-[2-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}phenyl)acetyl]-1-(4-methoxyphenyl)-1H-pyrazole-3-carboxylate
null
null
null
InChI=1S/C28H40O9/c29-26(32-13-16-1-5-20-23(9-16)35-20)8-4-19(28(31)34-15-18-3-7-22-25(11-18)37-22)12-27(30)33-14-17-2-6-21-24(10-17)36-21/h16-25H,1-15H2
BMIWNLNQXWHCBE-UHFFFAOYSA-N
C1CC2C(O2)CC1COC(=O)CCC(CC(=O)OCC3CCC4C(C3)O4)C(=O)OCC5CCC6C(C5)O6
C28H40O9
C1CC2C(O2)CC1COC(=O)CCC(CC(=O)OCC3CCC4C(C3)O4)C(=O)OCC5CCC6C(C5)O6
tris(7-oxabicyclo[4.1.0]heptan-3-ylmethyl) butane-1,2,4-tricarboxylate
1,2,4-tris({7-oxabicyclo[4.1.0]heptan-3-yl}methyl) butane-1,2,4-tricarboxylate
null
null
null
InChI=1S/C25H27N5O3S/c1-16(2)14-33-15-22-29-24(27-18-7-9-19(10-8-18)34(4,31)32)20-11-12-21(28-25(20)30-22)23-17(3)6-5-13-26-23/h5-13,16H,14-15H2,1-4H3,(H,27,28,29,30)
BMIZWMCZAGTTQM-UHFFFAOYSA-N
CC(C)COCC1=NC2=C(C=CC(=N2)C2=C(C)C=CC=N2)C(NC2=CC=C(C=C2)[S](C)(=O)=O)=N1
C25H27N5O3S
CC1=C(N=CC=C1)C2=NC3=C(C=C2)C(=NC(=N3)COCC(C)C)NC4=CC=C(C=C4)S(=O)(=O)C
2-(2-methylpropoxymethyl)-7-(3-methylpyridin-2-yl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine
N-(4-methanesulfonylphenyl)-2-[(2-methylpropoxy)methyl]-7-(3-methylpyridin-2-yl)pyrido[2,3-d]pyrimidin-4-amine
{"intermediateNodes":[],"alternativeParents":["CHEMONTID:0004417","CHEMONTID:0004233","CHEMONTID:0000284","CHEMONTID:0004152","CHEMONTID:0001262","CHEMONTID:0003886","CHEMONTID:0000505","CHEMONTID:0004144","CHEMONTID:0002451","CHEMONTID:0001167","CHEMONTID:0004139","CHEMONTID:0003940","CHEMONTID:0004150"],"substituents...
{"no":1,"jp":3,"wo":2,"cn":1,"ep":2,"ca":2,"us":6}
null
InChI=1S/C23H18F6N6O3S/c1-12-6-5-9-16(35-21(36)34(3)32-33-35)15(12)11-39-20(22(24,25)26)31-30-19(38-23(27,28)29)17-10-14-8-4-7-13(2)18(14)37-17/h4-10H,11H2,1-3H3
BMJGNHKZCCSZNH-UHFFFAOYSA-N
CN1N=NN(C1=O)C1=C(CSC(=NN=C(OC(F)(F)F)C2=CC3=CC=CC(C)=C3O2)C(F)(F)F)C(C)=CC=C1
C23H18F6N6O3S
null
null
trifluoromethyl 7-methyl-N-[2,2,2-trifluoro-1-({[2-methyl-6-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)phenyl]methyl}sulfanyl)ethylidene]-1-benzofuran-2-carbohydrazonate
null
null
null
InChI=1S/C21H15BrN2O2/c22-16-11-10-14-20(24-16)17(12-6-2-1-3-7-12)18-19(23-14)13-8-4-5-9-15(13)26-21(18)25/h1-11,17-19,23H/t17-,18-,19+/m0/s1
BMJMLWOXWRWXBD-QHAWMUCHSA-N
[H][C@]12NC3=CC=C(Br)N=C3[C@@H](C3=CC=CC=C3)[C@]1([H])C(=O)OC1=CC=CC=C21
C21H15BrN2O2
[H]C12NC3=CC=C(Br)N=C3C(C3=CC=CC=C3)C1([H])C(=O)OC1=CC=CC=C21
(6aS,7R,12aS)-9-bromo-7-phenyl-6a,7,12,12a-tetrahydrochromeno[4,3-b][1,5]naphthyridin-6-one
(5aS,11aS,12R)-2-bromo-12-phenyl-5a,11,11a,12-tetrahydro-5H-10-oxa-1,5-diazatetraphen-11-one
null
null
null
InChI=1S/2C6H10N2.2BrH.2Br.2Pd/c2*1-3-8-5-4-7(2)6-8;;;;;;/h2*4-5H,3H2,1-2H3;2*1H;;;;/q2*-2;;;2*-1;2*+4/p-2
BMJNTQUDIGLPIQ-UHFFFAOYSA-L
CCN1C=CN(C)[C--]1=[Pd+4]1([Br-])[Br-][Pd+4]([Br-])([Br-]1)=[C--]1N(C)C=CN1CC
C12H20Br4N4Pd2
null
null
null
null
null
null
InChI=1S/C20H27IN2O5S/c1-4-11-29(26)19-16(13-28-10-6-9-27-3)14(7-8-17(19)21)18(24)15-12-22-23(5-2)20(15)25/h7-8,12,25H,4-6,9-11,13H2,1-3H3
BMJONGBQDVQYTL-UHFFFAOYSA-N
CCC[S](=O)C1=C(I)C=CC(C(=O)C2=C(O)N(CC)N=C2)=C1COCCCOC
C20H27IN2O5S
null
null
1-ethyl-4-{4-iodo-2-[(3-methoxypropoxy)methyl]-3-(propane-1-sulfinyl)benzoyl}-1H-pyrazol-5-ol
null
null
null
InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h9-10,12,14,16-17,23-24H,2,5-8,11H2,1,3-4H3,(H,25,26)/t14-,16+,17-/m1/s1
BMJOPKPZCAZUJW-HYVNUMGLSA-N
CCCCCC1=C(C(O)=O)C(O)=C([C@@H]2C[C@H](C)C=C[C@H]2C(C)=C)C(O)=C1
C22H30O4
CCCCCC1=C(C(O)=O)C(O)=C(C2CC(C)C=CC2C(C)=C)C(O)=C1
null
2,4-dihydroxy-3-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohex-3-en-1-yl]-6-pentylbenzoic acid
null
null
null
InChI=1S/C28H31N3O6/c1-28(2,3)37-25(33)15-9-18-8-12-21-23(16-18)29(4)27(35)31(21)22-13-14-24(32)30(26(22)34)17-19-6-10-20(36-5)11-7-19/h6-12,15-16,22H,13-14,17H2,1-5H3/b15-9+
BMJPUNZWSVTYTI-OQLLNIDSSA-N
CC(C)(C)OC(=O)/C=C/C1=CC2=C(C=C1)N(C(=O)N2C)C3CCC(=O)N(C3=O)CC4=CC=C(C=C4)OC
C28H31N3O6
CC(C)(C)OC(=O)C=CC1=CC2=C(C=C1)N(C(=O)N2C)C3CCC(=O)N(C3=O)CC4=CC=C(C=C4)OC
tert-butyl (E)-3-[1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]prop-2-enoate
tert-butyl (2E)-3-(1-{1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl}-3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)prop-2-enoate
null
null
null
InChI=1S/4C22H22N.2ClH.2Ir/c4*1-21(2)14-22(3,4)18-13-16(9-11-17(18)21)20-12-10-15-7-5-6-8-19(15)23-20;;;;/h4*5-8,10-13H,14H2,1-4H3;2*1H;;/q4*-1;;;2*+3/p-2
BMJWCUDXDGJKGK-UHFFFAOYSA-L
CC1(C)CC(C)(C)C2=C1C=C1C3=CC=C4C=CC=CC4=[N]3[Ir+3]34([Cl-][Ir+3]567([Cl-]3)[C-]3=CC8=C(C=C3C3=CC=C9C=CC=CC9=[N]53)C(C)(C)CC8(C)C)([C-]1=C2)[C-]1=CC2=C(C=C1C1=CC=C3C=CC=CC3=[N]41)C(C)(C)CC2(C)C.CC1(C)CC(C)(C)C2=C1C=C(C1=CC=C3C=CC=CC3=[N]61)[C-]7=C2
C88H88Cl2Ir2N4
null
null
null
null
null
null
InChI=1S/C19H23N3O5/c1-11-16(21(24)25)4-15(5-17(11)22(26)27)18-6-13-3-14(7-18)9-19(8-13,10-18)20-12(2)23/h4-5,13-14H,3,6-10H2,1-2H3,(H,20,23)
BMJXYIXTVLPQLQ-UHFFFAOYSA-N
CC1=C(C=C(C=C1[N+](=O)[O-])C23CC4CC(C2)CC(C4)(C3)NC(=O)C)[N+](=O)[O-]
C19H23N3O5
CC1=C(C=C(C=C1[N+](=O)[O-])C23CC4CC(C2)CC(C4)(C3)NC(=O)C)[N+](=O)[O-]
N-[3-(4-methyl-3,5-dinitrophenyl)-1-adamantyl]acetamide
N-[3-(4-methyl-3,5-dinitrophenyl)adamantan-1-yl]acetamide
{"alternativeParents":["CHEMONTID:0000036","CHEMONTID:0004612","CHEMONTID:0003922","CHEMONTID:0001663","CHEMONTID:0003633","CHEMONTID:0001508","CHEMONTID:0000278","CHEMONTID:0003610","CHEMONTID:0003865","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"directParent":"CHEMONTID:0003969","intermediateNodes":[...
null
null
InChI=1S/C23H20F4N4O3S2/c1-12-8-17(15(23(25,26)27)9-13(12)21-19(36-4)10-20(24)34-21)33-11-14-16(6-5-7-18(14)35-3)31-22(32)30(2)28-29-31/h5-10H,11H2,1-4H3
BMKANFHHLSFSGH-UHFFFAOYSA-N
CSC1=C(OC(F)=C1)C1=CC(=C(OCC2=C(C=CC=C2SC)N2N=NN(C)C2=O)C=C1C)C(F)(F)F
C23H20F4N4O3S2
null
null
1-[2-({4-[5-fluoro-3-(methylsulfanyl)furan-2-yl]-5-methyl-2-(trifluoromethyl)phenoxy}methyl)-3-(methylsulfanyl)phenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C10H15N3O2/c1-3-6-12-8-4-5-9(11-2)10(7-8)13(14)15/h4-5,7,11-12H,3,6H2,1-2H3
BMKCPGHVNOMFDS-UHFFFAOYSA-N
CCCNC1=CC(=C(NC)C=C1)[N](=O)=O
C10H15N3O2
CCCNC1=CC(=C(NC)C=C1)N(=O)=O
1-N-methyl-2-nitro-4-N-propylbenzene-1,4-diamine
N1-methyl-2-nitro-N4-propylbenzene-1,4-diamine
{"alternativeParents":["CHEMONTID:0003924","CHEMONTID:0004612","CHEMONTID:0000284","CHEMONTID:0002458","CHEMONTID:0003633","CHEMONTID:0001508","CHEMONTID:0004557","CHEMONTID:0003610","CHEMONTID:0003865","CHEMONTID:0003940","CHEMONTID:0004150"],"directParent":"CHEMONTID:0000036","intermediateNodes":[],"kingdom":"CHEMONT...
{"gb":1,"us":1}
null
InChI=1S/C27H33N5O/c1-18-6-8-21(19(2)14-18)29-26-25-23(16-31-10-12-33-13-11-31)28-17-32(25)24-9-7-20(27(3,4)5)15-22(24)30-26/h6-9,14-15,17H,10-13,16H2,1-5H3,(H,29,30)
BMKFVOCGFWKFTJ-UHFFFAOYSA-N
CC1=CC(C)=C(NC2=NC3=CC(=CC=C3N3C=NC(CN4CCOCC4)=C23)C(C)(C)C)C=C1
C27H33N5O
CC1=CC(=C(C=C1)NC2=NC3=C(C=CC(=C3)C(C)(C)C)N4C2=C(N=C4)CN5CCOCC5)C
7-tert-butyl-N-(2,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)imidazo[1,5-a]quinoxalin-4-amine
7-tert-butyl-N-(2,4-dimethylphenyl)-3-[(morpholin-4-yl)methyl]imidazo[1,5-a]quinoxalin-4-amine
null
{"us":1,"wo":1}
null
InChI=1S/C24H12Cl2F6N6O7S3/c25-13-6-11(23(27,28)29)7-14(26)15(13)37-17(16(18(36-37)38(41)42)48(43)24(30,31)32)35-22(40)45-20(44-19(39)10-8-33-34-9-10)21(46)47-12-4-2-1-3-5-12/h1-9,20H,(H,33,34)(H,35,40)
BMKGFKNJUNDGSO-UHFFFAOYSA-N
FC(F)(F)C1=CC(Cl)=C(N2N=C(C(=C2NC(=O)OC(OC(=O)C2=CNN=C2)C(=S)SC2=CC=CC=C2)[S](=O)C(F)(F)F)[N](=O)=O)C(Cl)=C1
C24H12Cl2F6N6O7S3
FC(F)(F)C1=CC(Cl)=C(N2N=C(C(=C2NC(=O)OC(OC(=O)C2=CNN=C2)C(=S)SC2=CC=CC=C2)S(=O)C(F)(F)F)N(=O)=O)C(Cl)=C1
null
1-[({1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-nitro-4-trifluoromethanesulfinyl-1H-pyrazol-5-yl}carbamoyl)oxy]-2-(phenylsulfanyl)-2-sulfanylideneethyl 1H-pyrazole-4-carboxylate
null
null
null
InChI=1S/2C18H22N2S.2C16H13NO3S.C4H6O6/c2*1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;2*18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13;5-1(3(7)8)2(6)4(9)10/h2*4-11,14H,12-13H2,1-3H3;2*1-11,17H,(H,18,19,20);1-2,5-6H,(H,7,8)(H,9,10)/t;;;;1-,2-/m....1/s1
BMKMSMQCRDCFOK-YDTDZXAPSA-N
O[S](=O)(=O)C1=CC=CC2=C1C(NC1=CC=CC=C1)=CC=C2.O[S](=O)(=O)C1=CC=CC2=C1C(NC1=CC=CC=C1)=CC=C2.CC(CN(C)C)CN1C2=CC=CC=C2SC2=CC=CC=C12.CC(CN(C)C)CN1C2=CC=CC=C2SC2=CC=CC=C12.O[C@H]([C@@H](O)C(O)=O)C(O)=O
C72H76N6O12S4
null
null
(2R,3R)-2,3-dihydroxybutanedioic acid; bis(8-(phenylamino)naphthalene-1-sulfonic acid); bis(dimethyl[2-methyl-3-(10H-phenothiazin-10-yl)propyl]amine)
null
null
null
InChI=1S/C19H15F3N6O3S2/c1-11-14(31-17-23-8-9-32-17)6-7-16(24-11)30-10-12-13(28-18(29)27(2)25-26-28)4-3-5-15(12)33-19(20,21)22/h3-9H,10H2,1-2H3
BMKNMTLCLSJFKL-UHFFFAOYSA-N
CN1N=NN(C1=O)C1=C(COC2=CC=C(OC3=NC=CS3)C(C)=N2)C(SC(F)(F)F)=CC=C1
C19H15F3N6O3S2
null
null
1-methyl-4-[2-({[6-methyl-5-(1,3-thiazol-2-yloxy)pyridin-2-yl]oxy}methyl)-3-[(trifluoromethyl)sulfanyl]phenyl]-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C25H23F2N3O6S/c1-30-14-19(17-11-12-28-22(27)13-17)25(24(30)32,23(31)29-21-10-6-5-9-20(21)26)15-35-16-36-37(33,34)18-7-3-2-4-8-18/h2-13,19H,14-16H2,1H3,(H,29,31)
BMKRKHAJRDIKNV-UHFFFAOYSA-N
CN1CC(C2=CC=NC(F)=C2)C(COCO[S](=O)(=O)C2=CC=CC=C2)(C(=O)NC2=C(F)C=CC=C2)C1=O
C25H23F2N3O6S
null
null
({3-[(2-fluorophenyl)carbamoyl]-4-(2-fluoropyridin-4-yl)-1-methyl-2-oxopyrrolidin-3-yl}methoxy)methyl benzenesulfonate
null
null
null
InChI=1S/C23H20F7N7O4/c1-10-8-12(17-16(18(24)25)20(32-35(17)3)41-23(28,29)30)11(2)31-19(10)39-9-13-14(37-22(38)36(4)33-34-37)6-5-7-15(13)40-21(26)27/h5-8,18,21H,9H2,1-4H3
BMKUKCLZPQHQOL-UHFFFAOYSA-N
CN1N=NN(C1=O)C1=C(COC2=NC(C)=C(C=C2C)C2=C(C(F)F)C(OC(F)(F)F)=NN2C)C(OC(F)F)=CC=C1
C23H20F7N7O4
null
null
1-[3-(difluoromethoxy)-2-[({5-[4-(difluoromethyl)-1-methyl-3-(trifluoromethoxy)-1H-pyrazol-5-yl]-3,6-dimethylpyridin-2-yl}oxy)methyl]phenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C27H29F6N7O4/c1-15-7-5-6-8-17(15)16(2)34-23(42)18-14-44-25(35-18)38-9-10-39(19(12-38)24(43)37(3)4)22(41)13-40-21(27(31,32)33)11-20(36-40)26(28,29)30/h5-8,11,14,16,19H,9-10,12-13H2,1-4H3,(H,34,42)/t16-,19?/m1/s1
BMKWYGHVMYRXLR-VTBWFHPJSA-N
C[C@@H](NC(=O)C1=COC(=N1)N1CCN(C(C1)C(=O)N(C)C)C(=O)CN1N=C(C=C1C(F)(F)F)C(F)(F)F)C1=C(C)C=CC=C1
C27H29F6N7O4
CC(NC(=O)C1=COC(=N1)N1CCN(C(C1)C(=O)N(C)C)C(=O)CN1N=C(C=C1C(F)(F)F)C(F)(F)F)C1=C(C)C=CC=C1
null
1-{2-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-N,N-dimethyl-4-(4-{[(1R)-1-(2-methylphenyl)ethyl]carbamoyl}-1,3-oxazol-2-yl)piperazine-2-carboxamide
null
null
null
InChI=1S/C17H11F5IN3O3S/c1-27-26-15(8-2-3-30-7-8)10-6-24-25-14(10)9-4-11(28-16(18)19)13(23)12(5-9)29-17(20,21)22/h2-7,16H,1H3,(H,24,25)
BMLBXZBFTZGFLJ-UHFFFAOYSA-N
CON=C(C1=CSC=C1)C1=CNN=C1C1=CC(OC(F)(F)F)=C(I)C(OC(F)F)=C1
C17H11F5IN3O3S
null
null
({3-[3-(difluoromethoxy)-4-iodo-5-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl}(thiophen-3-yl)methylidene)(methoxy)amine
null
null
null
InChI=1S/C21H21F2N5O4S/c1-12(13-8-9-18(31-4)19-14(13)10-21(22,23)33-19)24-32-11-15-16(6-5-7-17(15)30-3)28-20(29)27(2)25-26-28/h5-9H,10-11H2,1-4H3
BMLIKVJGGFOXTL-UHFFFAOYSA-N
COC1=C2SC(F)(F)CC2=C(C=C1)C(C)=NOCC1=C(C=CC=C1OC)N1N=NN(C)C1=O
C21H21F2N5O4S
null
null
1-{2-[({[1-(2,2-difluoro-7-methoxy-2,3-dihydro-1-benzothiophen-4-yl)ethylidene]amino}oxy)methyl]-3-methoxyphenyl}-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C18H14F3N5O2S2/c1-17(2,8-22)10-4-13(30(3)28)15(24-6-10)26-9-25-14-12(16(26)27)5-11(7-23-14)29-18(19,20)21/h4-7,9H,1-3H3
BMLPQIWVUJLROJ-UHFFFAOYSA-N
C[S](=O)C1=C(N=CC(=C1)C(C)(C)C#N)N1C=NC2=NC=C(SC(F)(F)F)C=C2C1=O
C18H14F3N5O2S2
null
null
2-(5-methanesulfinyl-6-{4-oxo-6-[(trifluoromethyl)sulfanyl]-3H,4H-pyrido[2,3-d]pyrimidin-3-yl}pyridin-3-yl)-2-methylpropanenitrile
null
null
null
InChI=1S/C25H28N2O3/c1-6-14-27-24(29)22(21-19(8-3)11-10-18(5)20(21)9-4)23(28)25(27)12-15-26(16-13-25)30-17-7-2/h2,4,6,10-11,28H,1,8,12-17H2,3,5H3
BMLQYXGDVIQZPJ-UHFFFAOYSA-N
CCC1=CC=C(C)C(C#C)=C1C1=C(O)C2(CCN(CC2)OCC#C)N(CC=C)C1=O
C25H28N2O3
null
null
3-(6-ethyl-2-ethynyl-3-methylphenyl)-4-hydroxy-1-(prop-2-en-1-yl)-8-(prop-2-yn-1-yloxy)-1,8-diazaspiro[4.5]dec-3-en-2-one
null
null
null
InChI=1S/C31H26ClF2N3O2S/c1-31-13-12-27(39-31)29(40-21-8-3-2-4-9-21)28(30(31)38)26(37-36)16-22(18-6-5-7-20(32)14-18)23(17-35)19-10-11-24(33)25(34)15-19/h2-11,14-15,22-23,27H,12-13,16,36H2,1H3
BMLROFGFWUFDBU-UHFFFAOYSA-N
CC12CCC(O1)C(SC1=CC=CC=C1)=C(C(CC(C(C#N)C1=CC(F)=C(F)C=C1)C1=CC(Cl)=CC=C1)=NN)C2=O
C31H26ClF2N3O2S
null
null
3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-5-hydrazinylidene-5-[5-methyl-4-oxo-2-(phenylsulfanyl)-8-oxabicyclo[3.2.1]oct-2-en-3-yl]pentanenitrile
null
null
null
InChI=1S/C15H13ClN2O5/c16-11-4-2-1-3-9(11)13-17-7-10(15(20)21)14(19)18(13)8-12-22-5-6-23-12/h1-4,7,12H,5-6,8H2,(H,20,21)
BMLRQHPIYLNEFS-UHFFFAOYSA-N
OC(=O)C1=CN=C(N(CC2OCCO2)C1=O)C1=C(Cl)C=CC=C1
C15H13ClN2O5
null
null
2-(2-chlorophenyl)-1-[(1,3-dioxolan-2-yl)methyl]-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
null
null
null
InChI=1S/C22H27ClN4O5S/c1-31-19-12-14(11-18(23)25-19)13-32-16-5-3-15(4-6-16)22(24)8-9-27(21(22)29)17(7-10-33-2)20(28)26-30/h3-6,11-12,17,30H,7-10,13,24H2,1-2H3,(H,26,28)/t17-,22?/m1/s1
BMLSPVNMGKCLNH-PLEWWHCXSA-N
COC1=CC(COC2=CC=C(C=C2)C2(N)CCN([C@H](CCSC)C(=O)NO)C2=O)=CC(Cl)=N1
C22H27ClN4O5S
null
null
(2R)-2-(3-amino-3-{4-[(2-chloro-6-methoxypyridin-4-yl)methoxy]phenyl}-2-oxopyrrolidin-1-yl)-N-hydroxy-4-(methylsulfanyl)butanamide
null
null
null
InChI=1S/C11H18N4O3Si/c1-14-6-7(10(16)15(2)11(14)17)8-9(12-13-18-8)19(3,4)5/h6,8-9H,1-5H3
BMLUSSNZTRFUKD-UHFFFAOYSA-N
CN1C=C(C2ON=NC2[Si](C)(C)C)C(=O)N(C)C1=O
C11H18N4O3Si
null
null
1,3-dimethyl-5-[4-(trimethylsilyl)-4,5-dihydro-1,2,3-oxadiazol-5-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
null
null
null
InChI=1S/C25H24BrF5N6O/c1-13(21-34-23(32-2)35-37(21)20-6-5-18(26)11-33-20)36(12-14-3-4-14)22(38)16-7-15(19-10-24(19,27)28)8-17(9-16)25(29,30)31/h5-9,11,13-14,19H,3-4,10,12H2,1-2H3,(H,32,35)
BMLWGXOHJQCSAF-UHFFFAOYSA-N
CNC1=NN(C(=N1)C(C)N(CC1CC1)C(=O)C1=CC(=CC(=C1)C(F)(F)F)C1CC1(F)F)C1=CC=C(Br)C=N1
C25H24BrF5N6O
null
null
N-{1-[1-(5-bromopyridin-2-yl)-3-(methylamino)-1H-1,2,4-triazol-5-yl]ethyl}-N-(cyclopropylmethyl)-3-(2,2-difluorocyclopropyl)-5-(trifluoromethyl)benzamide
null
null
null
InChI=1S/C25H21Cl3N2O4/c1-14(2)24(31)34-23(21(13-30)25(32)33-3)11-19(18-8-7-17(27)10-22(18)28)20(12-29)15-5-4-6-16(26)9-15/h4-10,14,19-20H,11H2,1-3H3/b23-21-/t19-,20-/m0/s1
BMMBVERETSRJLV-SQMVBCHGSA-N
COC(=O)C(\C#N)=C(\C[C@H]([C@@H](C#N)C1=CC(Cl)=CC=C1)C1=C(Cl)C=C(Cl)C=C1)OC(=O)C(C)C
C25H21Cl3N2O4
COC(=O)C(C#N)=C(CC(C(C#N)C1=CC(Cl)=CC=C1)C1=C(Cl)C=C(Cl)C=C1)OC(=O)C(C)C
null
methyl (2Z,5R,6R)-6-(3-chlorophenyl)-2,6-dicyano-5-(2,4-dichlorophenyl)-3-[(2-methylpropanoyl)oxy]hex-2-enoate
null
null
null
InChI=1S/C20H14FN3O3/c1-2-9-24-19(13-5-7-14(21)8-6-13)22-10-16(20(24)26)17(25)15-11-23-27-18(15)12-3-4-12/h1,5-8,10-12H,3-4,9H2
BMMFTADBKVPQLY-UHFFFAOYSA-N
FC1=CC=C(C=C1)C1=NC=C(C(=O)C2=C(ON=C2)C2CC2)C(=O)N1CC#C
C20H14FN3O3
null
null
5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-(4-fluorophenyl)-3-(prop-2-yn-1-yl)-3,4-dihydropyrimidin-4-one
null
null
null
InChI=1S/C22H27ClN3O.ClH/c1-17-13-21-22(14-18(17)2)26(15-19-3-5-20(23)6-4-19)16-25(21)8-7-24-9-11-27-12-10-24;/h3-6,13-14,16H,7-12,15H2,1-2H3;1H/q+1;/p-1
BMMFUGVVBXOSOG-UHFFFAOYSA-M
[Cl-].CC1=C(C)C=C2C(=C1)N(CCN1CCOCC1)C=[N+]2CC1=CC=C(Cl)C=C1
C22H27Cl2N3O
null
null
3-[(4-chlorophenyl)methyl]-5,6-dimethyl-1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-3-ium chloride
null
null
null
InChI=1S/C13H7BrF3N5OS/c1-6-4-19-12(20-5-6)23-10-7(13(15,16)17)2-3-18-8(10)9-11(14)24-22-21-9/h2-5H,1H3
BMMGTOJNEYFCGG-UHFFFAOYSA-N
CC1=CN=C(OC2=C(N=CC=C2C(F)(F)F)C2=C(Br)SN=N2)N=C1
C13H7BrF3N5OS
CC1=CN=C(OC2=C(N=CC=C2C(F)(F)F)C2=C(Br)SN=N2)N=C1
null
2-{[2-(5-bromo-1,2,3-thiadiazol-4-yl)-4-(trifluoromethyl)pyridin-3-yl]oxy}-5-methylpyrimidine
null
null
null
InChI=1S/C82H123N23O29S/c1-6-40(4)66(103-60(111)33-84)80(133)101-55(36-106)76(129)95-50(28-42-34-89-45-14-8-7-13-44(42)45)71(124)96-51(29-59(85)110)72(125)102-57(38-108)81(134)105-25-12-17-58(105)78(131)99-54(32-63(116)117)73(126)91-47(16-11-24-88-82(86)87)68(121)94-49(27-41-18-20-43(109)21-19-41)70(123)92-48(22-26-135...
BMMJBMKOHVTIMC-SCGUBAKOSA-N
CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N...
C82H123N23O29S
null
null
(3S)-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-[(carboxymethyl)carbamoyl]pentyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-4-carbamimida...
null
null
null
InChI=1S/C22H20N8O4S/c1-14(2)16-6-5-7-18(30-22(31)28(3)26-27-30)17(16)13-34-21-8-9-29(25-21)19-12-24-15(11-23)10-20(19)35(4,32)33/h5-10,12H,1,13H2,2-4H3
BMMLPQFUYHVYPY-UHFFFAOYSA-N
CN1N=NN(C1=O)C1=C(COC2=NN(C=C2)C2=CN=C(C=C2[S](C)(=O)=O)C#N)C(=CC=C1)C(C)=C
C22H20N8O4S
CN1N=NN(C1=O)C1=C(COC2=NN(C=C2)C2=CN=C(C=C2S(C)(=O)=O)C#N)C(=CC=C1)C(C)=C
null
4-methanesulfonyl-5-(3-{[2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)-6-(prop-1-en-2-yl)phenyl]methoxy}-1H-pyrazol-1-yl)pyridine-2-carbonitrile
null
null
null
InChI=1S/C28H38ClNS2/c1-6-25(12-8-7-11-21(2)3)32-28(30-24-17-15-23(29)16-18-24)19-20-31-27-14-10-9-13-26(27)22(4)5/h9-10,13-22,25H,6-8,11-12H2,1-5H3/b20-19+,30-28?
BMMQVUYNLYFUDJ-OPDHZAFBSA-N
CCC(CCCCC(C)C)SC(\C=C\SC1=C(C=CC=C1)C(C)C)=NC1=CC=C(Cl)C=C1
C28H38ClNS2
null
null
(2E)-N-(4-chlorophenyl)-1-[(8-methylnonan-3-yl)sulfanyl]-3-{[2-(propan-2-yl)phenyl]sulfanyl}prop-2-en-1-imine
null
null
null
InChI=1S/C62H49BN2/c1-61(2,3)57-46-27-15-16-28-47(46)58(62(4,5)6)51-37-54-52(36-50(51)57)63-59-55(64(54)43-33-41(38-20-9-7-10-21-38)32-42(34-43)39-22-11-8-12-23-39)35-40-24-13-14-25-44(40)56(59)49-30-19-29-48-45-26-17-18-31-53(45)65(63)60(48)49/h7-37H,1-6H3
BMMSRCCAGRSBRT-UHFFFAOYSA-N
B12C3=CC4=C(C5=CC=CC=C5C(=C4C=C3N(C6=CC7=CC=CC=C7C(=C61)C8=CC=CC9=C8N2C1=CC=CC=C91)C1=CC(=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1)C(C)(C)C)C(C)(C)C
C62H49BN2
B12C3=CC4=C(C5=CC=CC=C5C(=C4C=C3N(C6=CC7=CC=CC=C7C(=C61)C8=CC=CC9=C8N2C1=CC=CC=C91)C1=CC(=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1)C(C)(C)C)C(C)(C)C
27,34-ditert-butyl-23-(3,5-diphenylphenyl)-2,23-diaza-1-boradecacyclo[20.15.1.12,9.03,8.014,38.015,20.024,37.026,35.028,33.013,39]nonatriaconta-3,5,7,9(39),10,12,14(38),15,17,19,21,24,26,28,30,32,34,36-octadecaene
27,34-di-tert-butyl-23-{5-phenyl-[1,1'-biphenyl]-3-yl}-2,23-diaza-1-boradecacyclo[20.15.1.1²,⁹.0³,⁸.0¹⁴,³⁸.0¹⁵,²⁰.0²⁴,³⁷.0²⁶,³⁵.0²⁸,³³.0¹³,³⁹]nonatriaconta-3,5,7,9(39),10,12,14,16,18,20,22(38),24,26,28,30,32,34,36-octadecaene
null
null
null
InChI=1S/C36H28N4/c1-22(2)32-21-29(28-19-18-25-17-16-23(3)37-34(25)36(28)40-32)26-12-9-13-27(20-26)35-33(24-10-5-4-6-11-24)38-30-14-7-8-15-31(30)39-35/h4-22H,1-3H3
BMMTVHQRBTZLPQ-UHFFFAOYSA-N
CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3C4=CC(=CC=C4)C5=NC6=CC=CC=C6N=C5C7=CC=CC=C7)C(C)C
C36H28N4
CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3C4=CC(=CC=C4)C5=NC6=CC=CC=C6N=C5C7=CC=CC=C7)C(C)C
9-methyl-4-[3-(3-phenylquinoxalin-2-yl)phenyl]-2-propan-2-yl-1,10-phenanthroline
9-methyl-4-[3-(3-phenylquinoxalin-2-yl)phenyl]-2-(propan-2-yl)-1,10-phenanthroline
null
null
null
InChI=1S/C23H28N4O3/c1-7-15(5)27-20(17-10-13(3)9-14(4)11-17)16(6)25-19(23(27)30)21(28)18-12-24-26(8-2)22(18)29/h9-12,15,29H,7-8H2,1-6H3
BMMXOMQXOFCZRF-UHFFFAOYSA-N
CCC(C)N1C(=O)C(=NC(C)=C1C1=CC(C)=CC(C)=C1)C(=O)C1=C(O)N(CC)N=C1
C23H28N4O3
null
null
1-(butan-2-yl)-6-(3,5-dimethylphenyl)-3-(1-ethyl-5-hydroxy-1H-pyrazole-4-carbonyl)-5-methyl-1,2-dihydropyrazin-2-one
null
null
null
InChI=1S/C20H16ClF6IN4O2S/c1-4-35(34)17-15(30-18-29-14(28)12(8-31(17)18)20(25,26)27)32(9(2)3)16(33)10-5-6-11(13(21)7-10)19(22,23)24/h5-9H,4H2,1-3H3
BMMXRFZVJZLBRO-UHFFFAOYSA-N
CC[S](=O)C1=C(N=C2N=C(I)C(=CN12)C(F)(F)F)N(C(C)C)C(=O)C1=CC(Cl)=C(C=C1)C(F)(F)F
C20H16ClF6IN4O2S
null
null
3-chloro-N-[3-(ethanesulfinyl)-7-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]-N-(propan-2-yl)-4-(trifluoromethyl)benzamide
null
null
null
InChI=1S/C34H48N4O4.CHCl3.Ni/c39-33-23-29(41-21-19-37-15-5-1-6-16-37)13-11-27(33)25-35-31-9-3-4-10-32(31)36-26-28-12-14-30(24-34(28)40)42-22-20-38-17-7-2-8-18-38;2-1(3)4;/h11-14,23-26,31-32,39-40H,1-10,15-22H2;1H;/q;;+2/p-2/t31-,32-;;/m1../s1
BMMYLNJMTTZOLT-YIECZYFASA-L
ClC(Cl)Cl.[H][C@@]12CCCC[C@@]1([H])[N]1=CC3=CC=C(OCCN4CCCCC4)C=C3[O-][Ni++]11[O-]C3=CC(OCCN4CCCCC4)=CC=C3C=[N]21 |r,wU:5.3,wD:10.10,c:28,47,49,t:12,14,16,35,52,(7.7,2.31,;9.04,1.54,;10.37,2.31,;9.04,,;10.06,6.5,;8.52,6.5,;9.15,5.1,;8.24,3.85,;6.71,4.01,;6.08,5.42,;6.99,6.66,;5.48,6.98,;6.67,8.17,;5.33,8.94,;5.33,10.48,...
C35H47Cl3N4NiO4
null
null
null
null
null
null
InChI=1S/C30H32N8O2/c1-19(2)37(20(3)4)18-23-8-5-6-11-26(23)22-12-13-24(31-16-22)15-28(39)27-17-32-36-38(27)25-10-7-9-21(14-25)29-33-30(40)35-34-29/h5-14,16-17,19-20H,15,18H2,1-4H3,(H2,33,34,35,40)
BMNACMZZUDHMCD-UHFFFAOYSA-N
CC(C)N(CC1=C(C=CC=C1)C1=CC=C(CC(=O)C2=CN=NN2C2=CC(=CC=C2)C2=NNC(=O)N2)N=C1)C(C)C
C30H32N8O2
null
null
3-[3-(5-{2-[5-(2-{[bis(propan-2-yl)amino]methyl}phenyl)pyridin-2-yl]acetyl}-1H-1,2,3-triazol-1-yl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
null
null
null
InChI=1S/C19H11BrF7N5O4S2/c1-2-38(35,36)16-14(30-12-7-11(20)28-8-32(12)16)31-6-5-10-9(15(31)33)3-4-13(29-10)37(34)19(26,27)17(21,22)18(23,24)25/h3-8H,2H2,1H3
BMNBREVMOIOYQE-UHFFFAOYSA-N
CC[S](=O)(=O)C1=C(N=C2C=C(Br)N=CN12)N1C=CC2=NC(=CC=C2C1=O)[S](=O)C(F)(F)C(F)(F)C(F)(F)F
C19H11BrF7N5O4S2
null
null
6-[7-bromo-3-(ethanesulfonyl)imidazo[1,2-c]pyrimidin-2-yl]-2-(1,1,2,2,3,3,3-heptafluoropropanesulfinyl)-5,6-dihydro-1,6-naphthyridin-5-one
null
null
null
InChI=1S/C52H54N2O2/c1-31(2)32(3)53-48(55)40-14-12-13-39-44(28-25-41(47(39)40)49(53)56)54-45-26-19-35(33-15-21-37(22-16-33)50(4,5)6)29-42(45)52(10,11)43-30-36(20-27-46(43)54)34-17-23-38(24-18-34)51(7,8)9/h12-32H,1-11H3/t32-/m0/s1
BMNCFQIQENQUGE-YTTGMZPUSA-N
CC(C)[C@H](C)N1C(=O)C2=CC=CC3=C2C(=CC=C3N2C3=CC=C(C=C3C(C)(C)C3=CC(=CC=C23)C2=CC=C(C=C2)C(C)(C)C)C2=CC=C(C=C2)C(C)(C)C)C1=O
C52H54N2O2
null
null
8-[2,7-bis(4-tert-butylphenyl)-9,9-dimethyl-9,10-dihydroacridin-10-yl]-3-[(2S)-3-methylbutan-2-yl]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
null
null
null
InChI=1S/C28H29F3N4O3/c1-14-9-15(10-21(32)26(14)36)17-5-8-33-13-23(17)35-27(37)22-4-3-18(29)25(34-22)24-19(30)11-16(12-20(24)31)28(38)6-2-7-28/h3-5,8,11-15,21,26,36,38H,2,6-7,9-10,32H2,1H3,(H,35,37)/t14-,15+,21+,26+/m0/s1
BMNDXUMWNQLVDD-IVOKJWQASA-N
C[C@H]1C[C@H](C[C@H]([C@@H]1O)N)C2=C(C=NC=C2)NC(=O)C3=NC(=C(C=C3)F)C4=C(C=C(C=C4F)C5(CCC5)O)F
C28H29F3N4O3
CC1CC(CC(C1O)N)C2=C(C=NC=C2)NC(=O)C3=NC(=C(C=C3)F)C4=C(C=C(C=C4F)C5(CCC5)O)F
N-[4-[(1R,3R,4R,5S)-3-amino-4-hydroxy-5-methylcyclohexyl]pyridin-3-yl]-6-[2,6-difluoro-4-(1-hydroxycyclobutyl)phenyl]-5-fluoropyridine-2-carboxamide
N-{4-[(1R,3R,4R,5S)-3-amino-4-hydroxy-5-methylcyclohexyl]pyridin-3-yl}-6-[2,6-difluoro-4-(1-hydroxycyclobutyl)phenyl]-5-fluoropyridine-2-carboxamide
null
{"ep":1,"jp":1}
null
InChI=1S/C11H5Br3O3/c12-4-8(15)6-3-5-1-2-7(13)9(14)10(5)17-11(6)16/h1-3H,4H2
BMNFLOHOWYZOGD-UHFFFAOYSA-N
BrCC(=O)C1=CC2=CC=C(Br)C(Br)=C2OC1=O
C11H5Br3O3
null
null
7,8-dibromo-3-(2-bromoacetyl)-2H-chromen-2-one
null
null
null
InChI=1S/C22H19F3N4O2/c1-4-5-15-11-18(22(23,24)25)8-9-19(15)29-13-27-20(28-29)16-7-6-14(2)17(10-16)12-26-21(30)31-3/h1,6-11,13H,5,12H2,2-3H3,(H,26,30)
BMNPRYQGPJCCOD-UHFFFAOYSA-N
COC(=O)NCC1=C(C)C=CC(=C1)C1=NN(C=N1)C1=C(CC#C)C=C(C=C1)C(F)(F)F
C22H19F3N4O2
null
null
methyl N-[(2-methyl-5-{1-[2-(prop-2-yn-1-yl)-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl}phenyl)methyl]carbamate
null
null
null
InChI=1S/C18H18/c1-3-13-9-10-17-16-8-6-5-7-15(16)12-14(4-2)18(17)11-13/h5-12H,3-4H2,1-2H3
BMNQAVDPPXFMMO-UHFFFAOYSA-N
CCC1=CC2=C(CC)C=C3C=CC=CC3=C2C=C1
C18H18
null
null
2,10-diethylphenanthrene
null
null
null
InChI=1S/C22H20F5N7O3/c1-3-5-13-6-4-7-16(34-21(35)32(2)30-31-34)14(13)12-36-19-8-9-33(29-19)18-10-17(37-20(23)24)15(11-28-18)22(25,26)27/h4,6-11,20H,3,5,12H2,1-2H3
BMNRMEKQNCNNHA-UHFFFAOYSA-N
CCCC1=CC=CC(N2N=NN(C)C2=O)=C1COC1=NN(C=C1)C1=CC(OC(F)F)=C(C=N1)C(F)(F)F
C22H20F5N7O3
null
null
1-{2-[({1-[4-(difluoromethoxy)-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-3-yl}oxy)methyl]-3-propylphenyl}-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C31H26ClN3O5S/c1-19-7-11-22(12-8-19)28(33)30(35(36)37)27(21-13-15-23(32)16-14-21)31-29(25-5-3-4-6-26(25)40-31)34-41(38,39)24-17-9-20(2)10-18-24/h3-18,27,34H,33H2,1-2H3/b30-28-
BMNRSVXIUJBCRP-HYOGKJQXSA-N
CC1=CC=C(C=C1)C(\N)=C(/C(C1=C(N[S](=O)(=O)C2=CC=C(C)C=C2)C2=CC=CC=C2O1)C1=CC=C(Cl)C=C1)[N](=O)=O
C31H26ClN3O5S
null
null
N-{2-[(2Z)-3-amino-1-(4-chlorophenyl)-3-(4-methylphenyl)-2-nitroprop-2-en-1-yl]-1-benzofuran-3-yl}-4-methylbenzene-1-sulfonamide
null
null
null
InChI=1S/C16H7Cl4FN2/c17-9-6-4-8(5-7-9)12-14(16(20)23-22-15(12)19)13-10(18)2-1-3-11(13)21/h1-7H
BMNUSZGXILYZSX-UHFFFAOYSA-N
C1=CC(=C(C(=C1)Cl)C2=C(C(=NN=C2Cl)Cl)C3=CC=C(C=C3)Cl)F
C16H7Cl4FN2
C1=CC(=C(C(=C1)Cl)C2=C(C(=NN=C2Cl)Cl)C3=CC=C(C=C3)Cl)F
3,6-dichloro-4-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)pyridazine
3,6-dichloro-4-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)pyridazine
{"alternativeParents":["CHEMONTID:0001100","CHEMONTID:0001099","CHEMONTID:0001031","CHEMONTID:0001030","CHEMONTID:0004144","CHEMONTID:0004139","CHEMONTID:0000278","CHEMONTID:0001517","CHEMONTID:0001516","CHEMONTID:0004150"],"directParent":"CHEMONTID:0004147","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecul...
{"ca":1,"cn":1,"ep":1,"in":1,"jp":1,"wo":1}
null
InChI=1S/C33H54N2O5/c1-6-11-15-27(14-9-4)35(26(12-7-2)13-8-3)31(36)22-34-21-28(32(33(37)38)29(34)23-39-10-5)25-17-16-24-18-19-40-30(24)20-25/h16-17,20,26-29,32H,6-15,18-19,21-23H2,1-5H3,(H,37,38)/t27?,28-,29+,32-/m1/s1
BMNUYVUSZXZXAJ-AHQXAUCJSA-N
CCCCC(CCC)N(C(CCC)CCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1COCC)C(O)=O)C1=CC=C2CCOC2=C1
C33H54N2O5
CCCCC(CCC)N(C(CCC)CCC)C(=O)CN1CC(C(C1COCC)C(O)=O)C1=CC=C2CCOC2=C1
null
(2R,3R,4S)-4-(2,3-dihydro-1-benzofuran-6-yl)-2-(ethoxymethyl)-1-{[(heptan-4-yl)(octan-4-yl)carbamoyl]methyl}pyrrolidine-3-carboxylic acid
null
null
null
InChI=1S/C26H21F5N4O2/c1-3-32-25(36)35-24(22-20(27)5-4-6-21(22)28)33-15(2)23(34-35)18-9-7-16(8-10-18)17-11-13-19(14-12-17)37-26(29,30)31/h4-15H,3H2,1-2H3,(H,32,36)
BMNVSSIUULGKRT-UHFFFAOYSA-N
CCNC(=O)N1N=C(C(C)N=C1C1=C(F)C=CC=C1F)C1=CC=C(C=C1)C1=CC=C(OC(F)(F)F)C=C1
C26H21F5N4O2
CCNC(=O)N1N=C(C(C)N=C1C1=C(F)C=CC=C1F)C1=CC=C(C=C1)C1=CC=C(OC(F)(F)F)C=C1
null
3-(2,6-difluorophenyl)-N-ethyl-5-methyl-6-[4'-(trifluoromethoxy)-[1,1'-biphenyl]-4-yl]-2,5-dihydro-1,2,4-triazine-2-carboxamide
null
null
null
InChI=1S/C13H12N2O3/c1-8-2-3-9(6-12(8)15(17)18)11-5-4-10(14)7-13(11)16/h2-7,16H,14H2,1H3
BMNWGFPTEJAFNS-UHFFFAOYSA-N
CC1=C(C=C(C=C1)C1=C(O)C=C(N)C=C1)[N](=O)=O
C13H12N2O3
CC1=C(C=C(C=C1)C1=C(O)C=C(N)C=C1)N(=O)=O
5-amino-2-(4-methyl-3-nitrophenyl)phenol
4-amino-4'-methyl-3'-nitro-[1,1'-biphenyl]-2-ol
{"alternativeParents":["CHEMONTID:0004108","CHEMONTID:0000036","CHEMONTID:0004655","CHEMONTID:0004612","CHEMONTID:0000284","CHEMONTID:0004647","CHEMONTID:0004646","CHEMONTID:0003633","CHEMONTID:0001508","CHEMONTID:0002450","CHEMONTID:0000323","CHEMONTID:0003610","CHEMONTID:0003865","CHEMONTID:0003940","CHEMONTID:000415...
{"ca":1,"de":1,"ep":2,"us":2,"wo":1}
null
InChI=1S/C28H20ClF3N4O2/c1-17-4-3-10-35-25(17)36(11-9-18-14-33-16-34-15-18)27(38)24(26(35)37)20-6-2-5-19(12-20)22-8-7-21(13-23(22)29)28(30,31)32/h2-8,10,12-16H,9,11H2,1H3
BMNZJACNGABXTO-UHFFFAOYSA-N
CC1=CC=CN2C(=O)[C-](C3=CC(=CC=C3)C3=C(Cl)C=C(C=C3)C(F)(F)F)C(=O)[N+](CCC3=CN=CN=C3)=C12
C28H20ClF3N4O2
null
null
3-[2'-chloro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl]-9-methyl-2,4-dioxo-1-[2-(pyrimidin-5-yl)ethyl]-2H,3H,4H-pyrido[1,2-a]pyrimidin-1-ium-3-ide
null
null
null
InChI=1S/C21H29NO3.C4H6O6/c23-20(25-19-15-7-6-8-16(19)14-22-13-15)21(24,18-11-4-5-12-18)17-9-2-1-3-10-17;5-1(3(7)8)2(6)4(9)10/h1-3,9-10,15-16,18-19,22,24H,4-8,11-14H2;1-2,5-6H,(H,7,8)(H,9,10)/t15-,16+,19-,21-;1-,2-/m01/s1
BMOABAYVELKKNL-VLVNZSPZSA-N
O[C@H]([C@@H](O)C(O)=O)C(O)=O.[H][C@]12CCC[C@]([H])(CNC1)[C@H]2OC(=O)[C@@](O)(C1CCCC1)C1=CC=CC=C1
C25H35NO9
null
null
(1R,5S,9s)-3-azabicyclo[3.3.1]nonan-9-yl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate; (2R,3R)-2,3-dihydroxybutanedioic acid
null
null
null
InChI=1S/C10H15N3O2/c1-4-5-8-7(2)6-9(13(14)15)10(11-3)12-8/h6H,4-5H2,1-3H3,(H,11,12)
BMOANACUSXFCJM-UHFFFAOYSA-N
CCCC1=NC(=C(C=C1C)[N+](=O)[O-])NC
C10H15N3O2
CCCC1=NC(=C(C=C1C)[N+](=O)[O-])NC
N,5-dimethyl-3-nitro-6-propylpyridin-2-amine
N,5-dimethyl-3-nitro-6-propylpyridin-2-amine
{"intermediateNodes":["CHEMONTID:0004117"],"alternativeParents":["CHEMONTID:0002458","CHEMONTID:0004152","CHEMONTID:0000283","CHEMONTID:0003886","CHEMONTID:0004144","CHEMONTID:0003633","CHEMONTID:0001508","CHEMONTID:0004139","CHEMONTID:0003610","CHEMONTID:0003865","CHEMONTID:0003940","CHEMONTID:0004150"],"substituents"...
{"us":2}
null
InChI=1S/C10H9N3O2S/c11-10(16(14)15)13-9-6-5-7-3-1-2-4-8(7)12-9/h1-6H,(H,14,15)(H2,11,12,13)
BMOAOTISEYSAJO-UHFFFAOYSA-N
C1=CC=C2C(=C1)C=CC(=N2)N=C(N)S(=O)O
C10H9N3O2S
C1=CC=C2C(=C1)C=CC(=N2)N=C(N)S(=O)O
amino(quinolin-2-ylimino)methanesulfinic acid
[N-(quinolin-2-yl)carbamimidoyl]sulfinic acid
{"alternativeParents":["CHEMONTID:0000089","CHEMONTID:0002448","CHEMONTID:0001269","CHEMONTID:0004144","CHEMONTID:0003633","CHEMONTID:0004139","CHEMONTID:0000004","CHEMONTID:0000278","CHEMONTID:0003940","CHEMONTID:0004150"],"directParent":"CHEMONTID:0001253","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecul...
{"ep":1,"us":1,"wo":1}
null
InChI=1S/C22H22N2O6S/c1-11-4-7-15(8-12(11)2)24-21(28)16(10-23-22(24)31(3,29)30)20(27)17-18(25)13-5-6-14(9-13)19(17)26/h4,7-8,10,13-14,25H,5-6,9H2,1-3H3
BMOFNBHPAFLOAW-UHFFFAOYSA-N
CC1=C(C)C=C(C=C1)N1C(=O)C(=CN=C1[S](C)(=O)=O)C(=O)C1=C(O)C2CCC(C2)C1=O
C22H22N2O6S
null
null
3-(3,4-dimethylphenyl)-5-{2-hydroxy-4-oxobicyclo[3.2.1]oct-2-ene-3-carbonyl}-2-methanesulfonyl-3,4-dihydropyrimidin-4-one
null
null
null
InChI=1S/C42H39NO3/c1-44-31-19-20-36-38(27-31)33-12-6-8-14-35(33)40-39(36)34-13-7-5-11-32(34)37-21-22-42(46-41(37)40,28-9-3-2-4-10-28)29-15-17-30(18-16-29)43-23-25-45-26-24-43/h2-5,7,9-11,13,15-22,27,33,35H,6,8,12,14,23-26H2,1H3
BMOIMGRGZGOFHH-UHFFFAOYSA-N
COC1=CC=C2C(=C1)C1CCCCC1C1=C3OC(C=CC3=C3C=CC=CC3=C21)(C1=CC=CC=C1)C1=CC=C(C=C1)N1CCOCC1
C42H39NO3
COC1=CC=C2C(=C1)C1CCCCC1C1=C3OC(C=CC3=C3C=CC=CC3=C21)(C1=CC=CC=C1)C1=CC=C(C=C1)N1CCOCC1
null
4-(4-{18-methoxy-4-phenyl-3-oxahexacyclo[12.12.0.0²,⁷.0⁸,¹³.0¹⁵,²⁰.0²¹,²⁶]hexacosa-1,5,7,9,11,13,15,17,19-nonaen-4-yl}phenyl)morpholine
null
null
null
InChI=1S/C22H38O17Si10/c1-13-40(23)27-41(24,14-2)29-45(18-6)33-44(17-5,28-40)34-48(21-9)37-46(19-7)31-42(15-3,25-11)30-43(16-4,26-12)32-47(20-8,36-46)38-49(22-10,35-45)39-48/h13-24H,1-10H2,11-12H3
BMONKMWUHDLHGV-UHFFFAOYSA-N
CO[Si]1(O[Si](OC)(O[Si]2(O[Si](O1)(O[Si]1(O[Si]3(O[Si](O)(O[Si](O)(O[Si](O3)(O[Si](O2)(O1)C=C)C=C)C=C)C=C)C=C)C=C)C=C)C=C)C=C)C=C
C22H38O17Si10
CO[Si]1(O[Si](OC)(O[Si]2(O[Si](O1)(O[Si]1(O[Si]3(O[Si](O)(O[Si](O)(O[Si](O3)(O[Si](O2)(O1)C=C)C=C)C=C)C=C)C=C)C=C)C=C)C=C)C=C)C=C
null
1,3,5,7,9,11,13,15,17,19-decaethenyl-15,17-dimethoxytetracyclo[9.9.1.1³,⁹.1¹³,¹⁹]decasiloxane-5,7-diol
null
null
null
InChI=1S/C25H23I2N5O/c1-16-21(15-30(2)28-16)25(33)31(18-8-9-18)14-17-12-20(24(27)22(26)13-17)23-10-11-32(29-23)19-6-4-3-5-7-19/h3-7,10-13,15,18H,8-9,14H2,1-2H3
BMOPQCMFTXPSSJ-UHFFFAOYSA-N
CN1C=C(C(=O)N(CC2=CC(C3=NN(C=C3)C3=CC=CC=C3)=C(I)C(I)=C2)C2CC2)C(C)=N1
C25H23I2N5O
null
null
N-cyclopropyl-N-{[3,4-diiodo-5-(1-phenyl-1H-pyrazol-3-yl)phenyl]methyl}-1,3-dimethyl-1H-pyrazole-4-carboxamide
null
null
null
InChI=1S/C24H23BrClN5OS/c1-14(2)16-8-6-10-27-23(16)17-11-19(25)22(12-20(17)26)33-13-18-15(3)7-5-9-21(18)31-24(32)30(4)28-29-31/h5-12,14H,13H2,1-4H3
BMOSEKFTFRAGTI-UHFFFAOYSA-N
CC(C)C1=C(N=CC=C1)C1=CC(Br)=C(SCC2=C(C=CC=C2C)N2N=NN(C)C2=O)C=C1Cl
C24H23BrClN5OS
CC(C)C1=C(N=CC=C1)C1=CC(Br)=C(SCC2=C(C=CC=C2C)N2N=NN(C)C2=O)C=C1Cl
null
1-{2-[({2-bromo-5-chloro-4-[3-(propan-2-yl)pyridin-2-yl]phenyl}sulfanyl)methyl]-3-methylphenyl}-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C23H35N3O3/c1-2-3-7-13-25-14-12-20(22(27)24-29)21(17-25)23(28)26-15-10-19(11-16-26)18-8-5-4-6-9-18/h4-6,8-9,19-21,29H,2-3,7,10-17H2,1H3,(H,24,27)/t20-,21-/m0/s1
BMOYCKIIPPCSJG-SFTDATJTSA-N
CCCCCN1CC[C@@H]([C@H](C1)C(=O)N1CCC(CC1)C1=CC=CC=C1)C(=O)NO
C23H35N3O3
null
null
(3R,4S)-N-hydroxy-1-pentyl-3-(4-phenylpiperidine-1-carbonyl)piperidine-4-carboxamide
null
null
null
InChI=1S/C38H42N2O12/c1-4-49-35(45)30(20-19-26-13-7-5-8-14-26)40(25(2)33(42)39-22-29-18-12-11-17-28(29)21-31(39)34(43)44)38(47)52-37(51-32(41)24-48-3)36(46)50-23-27-15-9-6-10-16-27/h5-18,25,30-31,37H,4,19-24H2,1-3H3,(H,43,44)/t25-,30-,31-,37?/m0/s1
BMOZWQPVODZOCZ-XIAZWJMESA-N
CCOC(=O)[C@H](CCC1=CC=CC=C1)N([C@@H](C)C(=O)N1CC2=CC=CC=C2C[C@H]1C(O)=O)C(=O)OC(OC(=O)COC)C(=O)OCC1=CC=CC=C1
C38H42N2O12
CCOC(=O)C(CCC1=CC=CC=C1)N(C(C)C(=O)N1CC2=CC=CC=C2CC1C(O)=O)C(=O)OC(OC(=O)COC)C(=O)OCC1=CC=CC=C1
null
(3S)-2-[(2S)-2-({[2-(benzyloxy)-1-[(2-methoxyacetyl)oxy]-2-oxoethoxy]carbonyl}[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino)propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
null
null
null
InChI=1S/C20H20N10O3/c1-11-19(26-25-17(22-11)18-23-14(9-21-24-18)12-7-8-12)33-10-13-15(5-4-6-16(13)32-3)30-20(31)29(2)27-28-30/h4-6,9,12H,7-8,10H2,1-3H3
BMPAOLPDFRYVAZ-UHFFFAOYSA-N
COC1=CC=CC(N2N=NN(C)C2=O)=C1COC1=NN=C(N=C1C)C1=NN=CC(=N1)C1CC1
C20H20N10O3
null
null
1-[2-({[3-(5-cyclopropyl-1,2,4-triazin-3-yl)-5-methyl-1,2,4-triazin-6-yl]oxy}methyl)-3-methoxyphenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C20H20ClN5O3/c1-4-14-8-6-11-18(26-20(27)25(3)23-24-26)17(14)13-28-22-19(5-2)29-16-10-7-9-15(21)12-16/h4,6-12H,1,5,13H2,2-3H3
BMPBSAYSTRJTSC-UHFFFAOYSA-N
CCC(OC1=CC(Cl)=CC=C1)=NOCC1=C(C=CC=C1C=C)N1N=NN(C)C1=O
C20H20ClN5O3
null
null
3-chlorophenyl N-{[2-ethenyl-6-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)phenyl]methoxy}propanimidate
null
null
null
InChI=1S/C20H18F3N3O3S/c1-30-8-7-19(22,23)5-6-20(28)16-13(14(9-24)17(20)27)3-2-4-15(16)29-18-25-10-12(21)11-26-18/h2-4,10-11,14,28H,5-8H2,1H3
BMPJUAAPAFFARP-UHFFFAOYSA-N
CSCCC(F)(F)CCC1(O)C(=O)C(C#N)C2=CC=CC(OC3=NC=C(F)C=N3)=C12
C20H18F3N3O3S
null
null
3-[3,3-difluoro-5-(methylsulfanyl)pentyl]-4-[(5-fluoropyrimidin-2-yl)oxy]-3-hydroxy-2-oxo-2,3-dihydro-1H-indene-1-carbonitrile
null
null
null
InChI=1S/C66H44N2S/c1-4-17-45(18-5-1)47-31-37-52(38-32-47)67(63-43-50(46-19-6-2-7-20-46)35-41-55(63)48-21-8-3-9-22-48)53-39-33-49(34-40-53)56-26-16-29-62-66(56)59-25-11-14-28-61(59)68(62)60-27-13-10-23-54(60)51-36-42-58-57-24-12-15-30-64(57)69-65(58)44-51/h1-44H
BMPMYDPTNGGGEZ-UHFFFAOYSA-N
S1C2=CC=CC=C2C2=CC=C(C=C12)C1=C(C=CC=C1)N1C2=CC=CC=C2C2=C(C=CC=C12)C1=CC=C(C=C1)N(C1=CC=C(C=C1)C1=CC=CC=C1)C1=C(C=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1
C66H44N2S
S1C2=CC=CC=C2C2=CC=C(C=C12)C1=C(C=CC=C1)N1C2=CC=CC=C2C2=C(C=CC=C12)C1=CC=C(C=C1)N(C1=CC=C(C=C1)C1=CC=CC=C1)C1=C(C=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1
null
N-{[1,1'-biphenyl]-4-yl}-4-phenyl-N-{4-[9-(2-{8-thiatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-5-yl}phenyl)-9H-carbazol-4-yl]phenyl}-[1,1'-biphenyl]-2-amine
null
null
null
InChI=1S/C24H29N5O2/c30-23(27-21-5-1-4-19(13-21)20-14-25-26-15-20)28-24(8-3-9-24)17-29-10-7-18(16-29)12-22-6-2-11-31-22/h1-2,4-6,11,13-15,18H,3,7-10,12,16-17H2,(H,25,26)(H2,27,28,30)
BMPNXOYQXDWPCH-UHFFFAOYSA-N
O=C(NC1=CC(=CC=C1)C1=CNN=C1)NC1(CN2CCC(CC3=CC=CO3)C2)CCC1
C24H29N5O2
null
null
3-[1-({3-[(furan-2-yl)methyl]pyrrolidin-1-yl}methyl)cyclobutyl]-1-[3-(1H-pyrazol-4-yl)phenyl]urea
null
null
null