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QF1
QF1
Name:5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide
Formula:C15 H17 Br Cl N3 O5 S2
SMILES:CS(c2nc(cn2C1CCCC1)NS(c3cc(cc(c3O)Cl)Br)(=O)=O)(=O)=O
InChi:InChI=1S/C15H17BrClN3O5S2/c1-26(22,23)15-18-13(8-20(15)10-4-2-3-5-10)19-27(24,25)12-7-9(16)6-11(17)14(12)21/h6-8,10,19,21H,2-5H2,1H3
Definition date:2019-10-21
Last modified:2020-04-10
Release date:2020-04-15
Identifier:5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide
OS8
OS8
Name:(4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
Formula:C24 H30 N4 O3
SMILES:COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)C[CH](C)Nc34)c2c1
InChi:InChI=1S/C24H30N4O3/c1-16-14-22(29)27-20-8-3-7-19(23(20)26-16)24(30)25-11-5-13-28-12-4-6-17-9-10-18(31-2)15-21(17)28/h3,7-10,15-16,26H,4-6,11-14H2,1-2H3,(H,25,30)(H,27,29)/t16-/m1/s1
Definition date:2020-04-01
Last modified:2020-04-10
Release date:2020-04-15
Identifier:(4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
OSN
OSN
Name:(4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
Formula:C25 H31 N3 O2
SMILES:COc1ccc2CCCN(CCCC=Cc3cccc4NC(=O)C[CH](C)Nc34)c2c1
InChi:InChI=1S/C25H31N3O2/c1-18-16-24(29)27-22-11-6-9-20(25(22)26-18)8-4-3-5-14-28-15-7-10-19-12-13-21(30-2)17-23(19)28/h4,6,8-9,11-13,17-18,26H,3,5,7,10,14-16H2,1-2H3,(H,27,29)/b8-4+/t18-/m1/s1
Definition date:2020-04-01
Last modified:2020-04-10
Release date:2020-04-15
Identifier:(4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
OSQ
OSQ
Name:(3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide
Formula:C22 H24 F2 N4 O2
SMILES:C[CH]1Nc2c(NC1=O)cccc2C(=O)NCC(F)(F)CN3CCCc4ccccc34
InChi:InChI=1S/C22H24F2N4O2/c1-14-20(29)27-17-9-4-8-16(19(17)26-14)21(30)25-12-22(23,24)13-28-11-5-7-15-6-2-3-10-18(15)28/h2-4,6,8-10,14,26H,5,7,11-13H2,1H3,(H,25,30)(H,27,29)/t14-/m1/s1
Definition date:2020-04-01
Last modified:2020-04-10
Release date:2020-04-15
Identifier:(3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide
OU2
OU2
Name:5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
Formula:C30 H38 N6 O3
SMILES:CCNC(=O)[CH](CCC1CCCCC1)NC(=O)c2ccc(CNC(=O)c3cnn(c3N)c4ccccc4)cc2
InChi:InChI=1S/C30H38N6O3/c1-2-32-30(39)26(18-15-21-9-5-3-6-10-21)35-28(37)23-16-13-22(14-17-23)19-33-29(38)25-20-34-36(27(25)31)24-11-7-4-8-12-24/h4,7-8,11-14,16-17,20-21,26H,2-3,5-6,9-10,15,18-19,31H2,1H3,(H,32,39)(H,33,38)(H,35,37)/t26-/m0/s1
Definition date:2020-04-05
Last modified:2020-04-10
Release date:2020-04-15
Identifier:5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
MRJ
MRJ
Name:N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Formula:C23 H46 N3 O8 P
SMILES:OP(O)(=O)OCC(C)(C(O)C(=O)NCCC(=O)NCCNC(CCCCCCCCCCC)=O)C
InChi:InChI=1S/C23H46N3O8P/c1-4-5-6-7-8-9-10-11-12-13-19(27)24-16-17-25-20(28)14-15-26-22(30)21(29)23(2,3)18-34-35(31,32)33/h21,29H,4-18H2,1-3H3,(H,24,27)(H,25,28)(H,26,30)(H2,31,32,33)/t21-/m0/s1
Definition date:2019-04-15
Last modified:2020-04-10
Release date:2020-04-15
Identifier:N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Q1Y
Q1Y
Name:5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(2H-indazol-3-yl)methyl]benzamide
Formula:C28 H27 F N4 O4
SMILES:c6(OCC1C(CCNC1)c2ccc(c(c2)C(NCc4c3c(cccc3)nn4)=O)F)cc5c(OCO5)cc6
InChi:InChI=1S/C28H27FN4O4/c29-23-7-5-17(11-22(23)28(34)31-14-25-21-3-1-2-4-24(21)32-33-25)20-9-10-30-13-18(20)15-35-19-6-8-26-27(12-19)37-16-36-26/h1-8,11-12,18,20,30H,9-10,13-16H2,(H,31,34)(H,32,33)/t18-,20-/m0/s1
Definition date:2019-09-06
Last modified:2020-04-10
Release date:2020-04-15
Identifier:5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(2H-indazol-3-yl)methyl]benzamide
MU7
MU7
Name:N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide
Formula:C20 H19 I N2 O4
SMILES:Ic1ccccc1C(NCCC3=Cc2c(ccc(c2NC3=O)OC)OC)=O
InChi:InChI=1S/C20H19IN2O4/c1-26-16-7-8-17(27-2)18-14(16)11-12(19(24)23-18)9-10-22-20(25)13-5-3-4-6-15(13)21/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,24)
Definition date:2019-04-16
Last modified:2020-04-10
Release date:2020-04-15
Identifier:N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide
M0J
M0J
Name:N-[(2S)-2-hydroxypropyl]-N'-phenylurea
Formula:C10 H14 N2 O2
SMILES:N(C(=O)NCC(O)C)c1ccccc1
InChi:InChI=1S/C10H14N2O2/c1-8(13)7-11-10(14)12-9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H2,11,12,14)/t8-/m0/s1
Definition date:2019-03-15
Last modified:2020-04-10
Release date:2020-04-15
Identifier:N-[(2S)-2-hydroxypropyl]-N'-phenylurea
QKP
QKP
Name:2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one
Formula:C27 H34 N2 O6
SMILES:c2(OCC(CN1CCN(CC1)C)O)c(cc(cc2C)C3=CC(c4c(cc(cc4O3)OC)OC)=O)C
InChi:InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
Definition date:2019-11-08
Last modified:2020-04-10
Release date:2020-04-15
Identifier:2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one
Q8D
Q8D
Name:1-cyclohexyl-1H-benzotriazole-5-carboxylic acid
Formula:C13 H15 N3 O2
SMILES:c12cc(C(O)=O)ccc1n(nn2)C3CCCCC3
InChi:InChI=1S/C13H15N3O2/c17-13(18)9-6-7-12-11(8-9)14-15-16(12)10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,17,18)
Definition date:2019-10-02
Last modified:2020-04-10
Release date:2020-04-15
Identifier:1-cyclohexyl-1H-benzotriazole-5-carboxylic acid
Q8G
Q8G
Name:1-cyclohexyl-1H-benzimidazole-5-carboxylic acid
Formula:C14 H16 N2 O2
SMILES:c12ncn(c1ccc(C(O)=O)c2)C3CCCCC3
InChi:InChI=1S/C14H16N2O2/c17-14(18)10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,17,18)
Definition date:2019-10-02
Last modified:2020-04-10
Release date:2020-04-15
Identifier:1-cyclohexyl-1H-benzimidazole-5-carboxylic acid
M4H
M4H
Name:5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid
Formula:C19 H19 N3 O4
SMILES:OC(=O)C1=CN(CC2(CCCC2)n3ccc4cccnc34)C=C(O)C1=O
InChi:InChI=1S/C19H19N3O4/c23-15-11-21(10-14(16(15)24)18(25)26)12-19(6-1-2-7-19)22-9-5-13-4-3-8-20-17(13)22/h3-5,8-11,23H,1-2,6-7,12H2,(H,25,26)
Definition date:2019-10-03
Last modified:2020-04-10
Release date:2020-04-15
Identifier:5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid
Q8M
Q8M
Name:5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
Formula:C14 H15 Br Cl N3 O3 S
SMILES:C1CC(CC1)n3cc(NS(c2cc(cc(c2O)Cl)Br)(=O)=O)nc3
InChi:InChI=1S/C14H15BrClN3O3S/c15-9-5-11(16)14(20)12(6-9)23(21,22)18-13-7-19(8-17-13)10-3-1-2-4-10/h5-8,10,18,20H,1-4H2
Definition date:2019-10-03
Last modified:2020-04-10
Release date:2020-04-15
Identifier:5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
Q8P
Q8P
Name:4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide
Formula:C16 H18 Br Cl N4 O4 S
SMILES:C1CC(CC1)n3cc(NS(c2cc(cc(c2O)Cl)Br)(=O)=O)nc3C(NC)=O
InChi:InChI=1S/C16H18BrClN4O4S/c1-19-16(24)15-20-13(8-22(15)10-4-2-3-5-10)21-27(25,26)12-7-9(17)6-11(18)14(12)23/h6-8,10,21,23H,2-5H2,1H3,(H,19,24)
Definition date:2019-10-03
Last modified:2020-04-10
Release date:2020-04-15
Identifier:4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide
Q8S
Q8S
Name:5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
Formula:C15 H17 Br Cl N3 O3 S
SMILES:C1CC(CC1)n3cc(NS(c2cc(cc(c2O)Cl)Br)(=O)=O)nc3C
InChi:InChI=1S/C15H17BrClN3O3S/c1-9-18-14(8-20(9)11-4-2-3-5-11)19-24(22,23)13-7-10(16)6-12(17)15(13)21/h6-8,11,19,21H,2-5H2,1H3
Definition date:2019-10-03
Last modified:2020-04-10
Release date:2020-04-15
Identifier:5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
C6O
C6O
Name:6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one
Formula:C34 H39 Cl F N7 O2
SMILES:CCC(=O)N1CCC[CH](C1)N2C(=O)C(=C(C)c3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc23)c6cccc(F)c6Cl
InChi:InChI=1S/C34H39ClFN7O2/c1-5-29(44)42-13-7-8-24(20-42)43-32-26(22(3)30(33(43)45)25-9-6-10-27(36)31(25)35)19-37-34(39-32)38-23-11-12-28(21(2)18-23)41-16-14-40(4)15-17-41/h6,9-12,18-19,24H,5,7-8,13-17,20H2,1-4H3,(H,37,38,39)/t24-/m0/s1
Definition date:2019-04-11
Last modified:2020-04-10
Release date:2020-04-15
Identifier:6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3~{S})-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one
C9U
C9U
Name:4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
Formula:C24 H26 N8
SMILES:CCn1cc(c2ccnc(Nc3ccc(cc3)N4CCNCC4)n2)c(n1)c5cccnc5
InChi:InChI=1S/C24H26N8/c1-2-32-17-21(23(30-32)18-4-3-10-26-16-18)22-9-11-27-24(29-22)28-19-5-7-20(8-6-19)31-14-12-25-13-15-31/h3-11,16-17,25H,2,12-15H2,1H3,(H,27,28,29)
Definition date:2019-04-23
Last modified:2020-04-10
Release date:2020-04-15
Identifier:4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CZX
CZX
Name:4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole
Formula:C13 H16 N2
SMILES:C[CH](c1c[nH]cn1)c2cccc(C)c2C
InChi:InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
Definition date:2019-05-24
Last modified:2020-04-10
Release date:2020-04-15
Identifier:4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole
EH6
EH6
Name:2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid
Formula:C19 H14 Cl N O2
SMILES:OC(=O)c1ccccc1Nc2cccc(Cl)c2c3ccccc3
InChi:InChI=1S/C19H14ClNO2/c20-15-10-6-12-17(18(15)13-7-2-1-3-8-13)21-16-11-5-4-9-14(16)19(22)23/h1-12,21H,(H,22,23)
Definition date:2019-12-24
Last modified:2020-04-10
Release date:2020-04-15
Identifier:2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid
EHC
EHC
Name:2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid
Formula:C21 H16 Cl N O3
SMILES:OC(=O)c1ccccc1Nc2cccc(Cl)c2c3ccc4OCCc4c3
InChi:InChI=1S/C21H16ClNO3/c22-16-5-3-7-18(23-17-6-2-1-4-15(17)21(24)25)20(16)14-8-9-19-13(12-14)10-11-26-19/h1-9,12,23H,10-11H2,(H,24,25)
Definition date:2019-12-24
Last modified:2020-04-10
Release date:2020-04-15
Identifier:2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid
EHO
EHO
Name:2-phenylazanylbenzoic acid
Formula:C13 H11 N O2
SMILES:OC(=O)c1ccccc1Nc2ccccc2
InChi:InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
Definition date:2019-12-24
Last modified:2020-04-10
Release date:2020-04-15
Identifier:2-phenylazanylbenzoic acid
EHR
EHR
Name:2-[(2-phenylphenyl)amino]benzoic acid
Formula:C19 H15 N O2
SMILES:OC(=O)c1ccccc1Nc2ccccc2c3ccccc3
InChi:InChI=1S/C19H15NO2/c21-19(22)16-11-5-7-13-18(16)20-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13,20H,(H,21,22)
Definition date:2019-12-24
Last modified:2020-04-10
Release date:2020-04-15
Identifier:2-[(2-phenylphenyl)amino]benzoic acid
EHU
EHU
Name:2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid
Formula:C20 H17 Cl N2 O2
SMILES:CNc1ccc(Nc2ccccc2C(O)=O)c(c1Cl)c3ccccc3
InChi:InChI=1S/C20H17ClN2O2/c1-22-17-12-11-16(18(19(17)21)13-7-3-2-4-8-13)23-15-10-6-5-9-14(15)20(24)25/h2-12,22-23H,1H3,(H,24,25)
Definition date:2019-12-24
Last modified:2020-04-10
Release date:2020-04-15
Identifier:2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid
AYR
AYR
Name:(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one
Formula:C17 H19 N O3
SMILES:C(c2ccc1OCOc1c2)=[C@H]C=[C@H]C(N3CCCCC3)=O
InChi:InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
Definition date:2018-12-13
Last modified:2020-04-10
Release date:2020-04-15
Identifier:(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one

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