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6HK
6HK
Name:methyl [3-(1-methyl-1H-imidazol-5-yl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]acetate
Formula:C20 H18 N4 O3
SMILES:O=C(OC)Cc3cc4NC(=O)c2c(cc(c1cncn1C)cc2)Nc4cc3
InChi:InChI=1S/C20H18N4O3/c1-24-11-21-10-18(24)13-4-5-14-16(9-13)22-15-6-3-12(8-19(25)27-2)7-17(15)23-20(14)26/h3-7,9-11,22H,8H2,1-2H3,(H,23,26)
Definition date:2012-07-06
Last modified:2012-08-17
Identifier:methyl [3-(1-methyl-1H-imidazol-5-yl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]acetate
EK2
EK2
Name:{4-[4-(3,5-dichlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl}(morpholin-4-yl)methanone
Formula:C18 H16 Cl2 N4 O2
SMILES:O=C(c3cc(c2c(c1cc(Cl)cc(Cl)c1)cnn2)cn3)N4CCOCC4
InChi:InChI=1S/C18H16Cl2N4O2/c19-13-5-11(6-14(20)8-13)15-10-22-23-17(15)12-7-16(21-9-12)18(25)24-1-3-26-4-2-24/h5-10,21H,1-4H2,(H,22,23)
Definition date:2012-07-06
Last modified:2012-08-17
Identifier:{4-[4-(3,5-dichlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl}(morpholin-4-yl)methanone
EK3
EK3
Name:N-cyclohexyl-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine
Formula:C20 H21 F N4
SMILES:Fc4ccc(c1nncc1c3ccnc(NC2CCCCC2)c3)cc4
InChi:InChI=1S/C20H21FN4/c21-16-8-6-14(7-9-16)20-18(13-23-25-20)15-10-11-22-19(12-15)24-17-4-2-1-3-5-17/h6-13,17H,1-5H2,(H,22,24)(H,23,25)
Definition date:2012-07-06
Last modified:2012-08-17
Identifier:N-cyclohexyl-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine
EK4
EK4
Name:N-[(1S)-2-hydroxy-1-phenylethyl]-4-{4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-1H-pyrrole-2-carboxamide
Formula:C23 H19 F3 N4 O2
SMILES:FC(F)(F)c1cccc(c1)c4c(c3cc(C(=O)NC(c2ccccc2)CO)nc3)nnc4
InChi:InChI=1S/C23H19F3N4O2/c24-23(25,26)17-8-4-7-15(9-17)18-12-28-30-21(18)16-10-19(27-11-16)22(32)29-20(13-31)14-5-2-1-3-6-14/h1-12,20,27,31H,13H2,(H,28,30)(H,29,32)/t20-/m1/s1
Definition date:2012-07-06
Last modified:2012-08-17
Identifier:N-[(1S)-2-hydroxy-1-phenylethyl]-4-{4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-1H-pyrrole-2-carboxamide
4UP
4UP
Name:6-[(2S,3S)-3-phenyloxiran-2-yl]naphthalene-2-carboximidamide
Formula:C19 H16 N2 O
SMILES:[N@H]=C(N)c2ccc1cc(ccc1c2)C4OC4c3ccccc3
InChi:InChI=1S/C19H16N2O/c20-19(21)16-9-7-13-10-15(8-6-14(13)11-16)18-17(22-18)12-4-2-1-3-5-12/h1-11,17-18H,(H3,20,21)/t17-,18-/m0/s1
Definition date:2012-07-01
Last modified:2012-08-17
Identifier:6-[(2S,3S)-3-phenyloxiran-2-yl]naphthalene-2-carboximidamide
8UP
8UP
Name:8-(3-bromopropoxy)-7-methoxynaphthalene-2-carboximidamide
Formula:C15 H17 Br N2 O2
SMILES:BrCCCOc1c2c(ccc1OC)ccc(c2)C(=[N@H])N
InChi:InChI=1S/C15H17BrN2O2/c1-19-13-6-5-10-3-4-11(15(17)18)9-12(10)14(13)20-8-2-7-16/h3-6,9H,2,7-8H2,1H3,(H3,17,18)
Definition date:2012-07-01
Last modified:2012-08-17
Identifier:8-(3-bromopropoxy)-7-methoxynaphthalene-2-carboximidamide
E75
E75
Name:trans-4-{[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino}cyclohexanol
Formula:C20 H22 N4 O2
SMILES:OC4CCC(Nc1nccc(n1)c3c(onc3c2ccccc2)C)CC4
InChi:InChI=1S/C20H22N4O2/c1-13-18(19(24-26-13)14-5-3-2-4-6-14)17-11-12-21-20(23-17)22-15-7-9-16(25)10-8-15/h2-6,11-12,15-16,25H,7-10H2,1H3,(H,21,22,23)/t15-,16-
Definition date:2012-07-06
Last modified:2012-08-17
Identifier:trans-4-{[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino}cyclohexanol
EAC
EAC
Name:ethyl 3-oxobutanoate
Formula:C6 H10 O3
SMILES:O=C(C)CC(=O)OCC
InChi:InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
Definition date:2012-08-10
Last modified:2012-08-17
Identifier:ethyl 3-oxobutanoate
H0K
H0K
Name:4'-[7-(hydroxymethyl)-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]biphenyl-4-ol
Formula:C23 H18 N2 O2
SMILES:Oc1ccc(cc1)c2ccc(cc2)c3c5c(nn3)c4cc(ccc4C5)CO
InChi:InChI=1S/C23H18N2O2/c26-13-14-1-2-18-12-21-22(24-25-23(21)20(18)11-14)17-5-3-15(4-6-17)16-7-9-19(27)10-8-16/h1-11,26-27H,12-13H2,(H,24,25)
Definition date:2012-07-05
Last modified:2012-08-17
Identifier:4'-[7-(hydroxymethyl)-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]biphenyl-4-ol
H1K
H1K
Name:1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea
Formula:C13 H13 Cl N4 O3
SMILES:O=C(Nc1nccnc1)Nc2cc(Cl)c(OC)cc2OC
InChi:InChI=1S/C13H13ClN4O3/c1-20-10-6-11(21-2)9(5-8(10)14)17-13(19)18-12-7-15-3-4-16-12/h3-7H,1-2H3,(H2,16,17,18,19)
Definition date:2012-07-02
Last modified:2012-08-17
Identifier:1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea
H2K
H2K
Name:1-{5-chloro-2-[(3R)-pyrrolidin-3-yloxy]phenyl}-3-(5-cyanopyrazin-2-yl)urea
Formula:C16 H15 Cl N6 O2
SMILES:N#Cc1ncc(nc1)NC(=O)Nc3cc(Cl)ccc3OC2CCNC2
InChi:InChI=1S/C16H15ClN6O2/c17-10-1-2-14(25-12-3-4-19-8-12)13(5-10)22-16(24)23-15-9-20-11(6-18)7-21-15/h1-2,5,7,9,12,19H,3-4,8H2,(H2,21,22,23,24)/t12-/m1/s1
Definition date:2012-07-02
Last modified:2012-08-17
Identifier:1-{5-chloro-2-[(3R)-pyrrolidin-3-yloxy]phenyl}-3-(5-cyanopyrazin-2-yl)urea
H3K
H3K
Name:1-{5-bromo-2-[(3R)-3-hydroxypiperidin-1-yl]phenyl}-3-(5-cyanopyrazin-2-yl)urea
Formula:C17 H17 Br N6 O2
SMILES:N#Cc1ncc(nc1)NC(=O)Nc2cc(Br)ccc2N3CCCC(O)C3
InChi:InChI=1S/C17H17BrN6O2/c18-11-3-4-15(24-5-1-2-13(25)10-24)14(6-11)22-17(26)23-16-9-20-12(7-19)8-21-16/h3-4,6,8-9,13,25H,1-2,5,10H2,(H2,21,22,23,26)/t13-/m1/s1
Definition date:2012-07-03
Last modified:2012-08-17
Identifier:1-{5-bromo-2-[(3R)-3-hydroxypiperidin-1-yl]phenyl}-3-(5-cyanopyrazin-2-yl)urea
H4K
H4K
Name:1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea
Formula:C15 H10 N6 O
SMILES:O=C(Nc1ncc(nc1)C#N)Nc2ncc3c(c2)cccc3
InChi:InChI=1S/C15H10N6O/c16-6-12-8-19-14(9-17-12)21-15(22)20-13-5-10-3-1-2-4-11(10)7-18-13/h1-5,7-9H,(H2,18,19,20,21,22)
Definition date:2012-07-03
Last modified:2012-08-17
Identifier:1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea
H5K
H5K
Name:6-{[(5-cyanopyrazin-2-yl)carbamoyl]amino}naphthalene-2-carboxylic acid
Formula:C17 H11 N5 O3
SMILES:O=C(Nc1ncc(nc1)C#N)Nc3cc2ccc(C(=O)O)cc2cc3
InChi:InChI=1S/C17H11N5O3/c18-7-14-8-20-15(9-19-14)22-17(25)21-13-4-3-10-5-12(16(23)24)2-1-11(10)6-13/h1-6,8-9H,(H,23,24)(H2,20,21,22,25)
Definition date:2012-07-03
Last modified:2012-08-17
Identifier:6-{[(5-cyanopyrazin-2-yl)carbamoyl]amino}naphthalene-2-carboxylic acid
H6K
H6K
Name:1-(5-cyanopyrazin-2-yl)-3-(5-phenyl-1H-pyrazol-3-yl)urea
Formula:C15 H11 N7 O
SMILES:O=C(Nc2nnc(c1ccccc1)c2)Nc3ncc(C#N)nc3
InChi:InChI=1S/C15H11N7O/c16-7-11-8-18-14(9-17-11)20-15(23)19-13-6-12(21-22-13)10-4-2-1-3-5-10/h1-6,8-9H,(H3,18,19,20,21,22,23)
Definition date:2012-07-03
Last modified:2012-08-17
Identifier:1-(5-cyanopyrazin-2-yl)-3-(5-phenyl-1H-pyrazol-3-yl)urea
H7K
H7K
Name:methyl 5-(6-{[(cis-4-hydroxycyclohexyl)amino]methyl}-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)furan-2-carboxylate
Formula:C23 H25 N3 O4
SMILES:O=C(OC)c5oc(c1c3c(nn1)c2ccc(cc2C3)CNC4CCC(O)CC4)cc5
InChi:InChI=1S/C23H25N3O4/c1-29-23(28)20-9-8-19(30-20)22-18-11-14-10-13(2-7-17(14)21(18)25-26-22)12-24-15-3-5-16(27)6-4-15/h2,7-10,15-16,24,27H,3-6,11-12H2,1H3,(H,25,26)/t15-,16+
Definition date:2012-07-03
Last modified:2012-08-17
Identifier:methyl 5-(6-{[(cis-4-hydroxycyclohexyl)amino]methyl}-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)furan-2-carboxylate
H8K
H8K
Name:trans-4-({[3-(furan-3-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-yl]methyl}amino)cyclohexanol
Formula:C21 H23 N3 O2
SMILES:n3c2c1ccc(cc1Cc2c(n3)c4ccoc4)CNC5CCC(O)CC5
InChi:InChI=1S/C21H23N3O2/c25-17-4-2-16(3-5-17)22-11-13-1-6-18-15(9-13)10-19-20(23-24-21(18)19)14-7-8-26-12-14/h1,6-9,12,16-17,22,25H,2-5,10-11H2,(H,23,24)/t16-,17-
Definition date:2012-07-03
Last modified:2012-08-17
Identifier:trans-4-({[3-(furan-3-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-yl]methyl}amino)cyclohexanol
H9K
H9K
Name:3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol
Formula:C22 H16 N2 O2
SMILES:Oc1ccc(cc1)c2ccc(cc2)c3c5c(nn3)c4ccc(O)cc4C5
InChi:InChI=1S/C22H16N2O2/c25-17-7-5-14(6-8-17)13-1-3-15(4-2-13)21-20-12-16-11-18(26)9-10-19(16)22(20)24-23-21/h1-11,25-26H,12H2,(H,23,24)
Definition date:2012-07-03
Last modified:2012-08-17
Identifier:3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol
HK1
HK1
Name:4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol
Formula:C18 H16 N2 O3
SMILES:Oc1ccc(cc1)c2c4c(nn2)c3cc(OC)c(OC)cc3C4
InChi:InChI=1S/C18H16N2O3/c1-22-15-8-11-7-14-17(10-3-5-12(21)6-4-10)19-20-18(14)13(11)9-16(15)23-2/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)
Definition date:2012-06-28
Last modified:2012-08-17
Identifier:4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol
HK3
HK3
Name:4'-(6,7-dimethoxyindeno[1,2-c]pyrazol-3-yl)biphenyl-4-ol
Formula:C24 H18 N2 O3
SMILES:Oc1ccc(cc1)c5ccc(C=3N=NC4=C2C(C=C(OC)C(OC)=C2)=CC=34)cc5
InChi:InChI=1S/C24H18N2O3/c1-28-21-12-17-11-20-23(25-26-24(20)19(17)13-22(21)29-2)16-5-3-14(4-6-16)15-7-9-18(27)10-8-15/h3-13,27H,1-2H3
Definition date:2012-07-02
Last modified:2012-08-17
Identifier:4'-(6,7-dimethoxyindeno[1,2-c]pyrazol-3-yl)biphenyl-4-ol
HK4
HK4
Name:4-[(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethynyl]-2-methoxyphenol
Formula:C21 H18 N2 O4
SMILES:Oc4ccc(C#Cc1c3c(nn1)c2cc(OC)c(OC)cc2C3)cc4OC
InChi:InChI=1S/C21H18N2O4/c1-25-18-8-12(5-7-17(18)24)4-6-16-15-9-13-10-19(26-2)20(27-3)11-14(13)21(15)23-22-16/h5,7-8,10-11,24H,9H2,1-3H3,(H,22,23)
Definition date:2012-07-02
Last modified:2012-08-17
Identifier:4-[(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethynyl]-2-methoxyphenol
HK5
HK5
Name:4-[6-(1H-imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitrile
Formula:C22 H17 N5 O
SMILES:N#Cc1ccc(cc1)c2c4c(nn2)c3cc(OC)c(cc3C4)Cn5ccnc5
InChi:InChI=1S/C22H17N5O/c1-28-20-10-18-16(8-17(20)12-27-7-6-24-13-27)9-19-21(25-26-22(18)19)15-4-2-14(11-23)3-5-15/h2-8,10,13H,9,12H2,1H3,(H,25,26)
Definition date:2012-07-02
Last modified:2012-08-17
Identifier:4-[6-(1H-imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitrile
HK6
HK6
Name:8-chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
Formula:C13 H9 Cl N2 O
SMILES:Clc3cc1c(Nc2c(C(=O)N1)cccc2)cc3
InChi:InChI=1S/C13H9ClN2O/c14-8-5-6-11-12(7-8)16-13(17)9-3-1-2-4-10(9)15-11/h1-7,15H,(H,16,17)
Definition date:2012-07-02
Last modified:2012-08-17
Identifier:8-chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
HK7
HK7
Name:2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzamide
Formula:C20 H15 N3 O2
SMILES:O=C(N)c1ccccc1c4cc3Nc2c(cccc2)NC(=O)c3cc4
InChi:InChI=1S/C20H15N3O2/c21-19(24)14-6-2-1-5-13(14)12-9-10-15-18(11-12)22-16-7-3-4-8-17(16)23-20(15)25/h1-11,22H,(H2,21,24)(H,23,25)
Definition date:2012-07-02
Last modified:2012-08-17
Identifier:2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzamide
HK8
HK8
Name:(3-chloro-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid
Formula:C15 H11 Cl N2 O3
SMILES:O=C(O)Cc3cc1c(Nc2c(C(=O)N1)ccc(Cl)c2)cc3
InChi:InChI=1S/C15H11ClN2O3/c16-9-2-3-10-12(7-9)17-11-4-1-8(6-14(19)20)5-13(11)18-15(10)21/h1-5,7,17H,6H2,(H,18,21)(H,19,20)
Definition date:2012-07-02
Last modified:2012-08-17
Identifier:(3-chloro-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid

223532

數據於2024-08-07公開中

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