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63N
63N
Name:N-{2-[1-(cyclopropylsulfonyl)-1H-pyrazol-4-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine
Formula:C19 H20 N8 O2 S
SMILES:c3(Nc2cc1c(ncn1C(C)C)cn2)ccnc(n3)c4cn(nc4)S(C5CC5)(=O)=O
InChi:InChI=1S/C19H20N8O2S/c1-12(2)26-11-22-15-9-21-18(7-16(15)26)24-17-5-6-20-19(25-17)13-8-23-27(10-13)30(28,29)14-3-4-14/h5-12,14H,3-4H2,1-2H3,(H,20,21,24,25)
Definition date:2016-01-20
Last modified:2016-04-01
Release date:2016-04-06
Identifier:N-{2-[1-(cyclopropylsulfonyl)-1H-pyrazol-4-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine
649
649
Name:5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine
Formula:C27 H38 N6 O8 S
SMILES:C(CCCCCCCCOc1ccccc1)CC(NS(=O)(=O)OCC2OC(C(C2O)O)n3cnc4c3ncnc4N)=O
InChi:InChI=1S/C27H38N6O8S/c28-25-22-26(30-17-29-25)33(18-31-22)27-24(36)23(35)20(41-27)16-40-42(37,38)32-21(34)14-10-5-3-1-2-4-6-11-15-39-19-12-8-7-9-13-19/h7-9,12-13,17-18,20,23-24,27,35-36H,1-6,10-11,14-16H2,(H,32,34)(H2,28,29,30)/t20-,23-,24-,27-/m1/s1
Definition date:2016-01-24
Last modified:2016-04-01
Release date:2016-04-06
Identifier:5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine
668
668
Name:2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide
Formula:C25 H35 Cl F3 N3 O3
SMILES:FC(C(C(N3CCC(C1CCN(CC1)c2cc(Cl)c(C(N(C)C)=O)cc2)CC3)=O)(C(C)C)O)(F)F
InChi:InChI=1S/C25H35ClF3N3O3/c1-16(2)24(35,25(27,28)29)23(34)32-13-9-18(10-14-32)17-7-11-31(12-8-17)19-5-6-20(21(26)15-19)22(33)30(3)4/h5-6,15-18,35H,7-14H2,1-4H3/t24-/m1/s1
Definition date:2016-01-14
Last modified:2016-04-01
Release date:2016-04-06
Identifier:2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide
66A
66A
Name:7-[cis-3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:C27 H29 N5 O
SMILES:c2(cc(OCc1ccccc1)ccc2)c6c3c(N)ncnc3n(C5CC(CN4CCC4)C5)c6
InChi:InChI=1S/C27H29N5O/c28-26-25-24(21-8-4-9-23(14-21)33-17-19-6-2-1-3-7-19)16-32(27(25)30-18-29-26)22-12-20(13-22)15-31-10-5-11-31/h1-4,6-9,14,16,18,20,22H,5,10-13,15,17H2,(H2,28,29,30)/t20-,22+
Definition date:2016-02-03
Last modified:2016-04-01
Release date:2016-04-06
Identifier:7-[cis-3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
69M
69M
Name:4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-3-yl]phenol
Formula:C21 H18 N4 O
SMILES:c1c(ccc(c1)c4c(c2cc(ccc2)c3cccc(c3)N)c(nn4)N)O
InChi:InChI=1S/C21H18N4O/c22-17-6-2-4-15(12-17)14-3-1-5-16(11-14)19-20(24-25-21(19)23)13-7-9-18(26)10-8-13/h1-12,26H,22H2,(H3,23,24,25)
Definition date:2016-02-22
Last modified:2016-04-01
Release date:2016-04-06
Identifier:4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-3-yl]phenol
69R
69R
Name:4,4'-(5-{[(1H-imidazol-4-yl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol
Formula:C19 H17 N5 O2
SMILES:c3(c1ccc(cc1)O)c(c2ccc(cc2)O)c(nn3)NCc4cncn4
InChi:InChI=1S/C19H17N5O2/c25-15-5-1-12(2-6-15)17-18(13-3-7-16(26)8-4-13)23-24-19(17)21-10-14-9-20-11-22-14/h1-9,11,25-26H,10H2,(H,20,22)(H2,21,23,24)
Definition date:2016-02-22
Last modified:2016-04-01
Release date:2016-04-06
Identifier:4,4'-(5-{[(1H-imidazol-4-yl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol
69S
69S
Name:3'-amino-5-[5-amino-3-(4-hydroxyphenyl)-1H-pyrazol-4-yl][1,1'-biphenyl]-2-ol
Formula:C21 H18 N4 O2
SMILES:c1(ccc(O)cc1)c2nnc(c2c4cc(c3cccc(c3)N)c(cc4)O)N
InChi:InChI=1S/C21H18N4O2/c22-15-3-1-2-13(10-15)17-11-14(6-9-18(17)27)19-20(24-25-21(19)23)12-4-7-16(26)8-5-12/h1-11,26-27H,22H2,(H3,23,24,25)
Definition date:2016-02-22
Last modified:2016-04-01
Release date:2016-04-06
Identifier:3'-amino-5-[5-amino-3-(4-hydroxyphenyl)-1H-pyrazol-4-yl][1,1'-biphenyl]-2-ol
69T
69T
Name:4-{5-[(4-hydroxyphenyl)amino]-1H-pyrazol-3-yl}phenol
Formula:C15 H13 N3 O2
SMILES:c1(ccc(cc1)O)Nc2cc(nn2)c3ccc(cc3)O
InChi:InChI=1S/C15H13N3O2/c19-12-5-1-10(2-6-12)14-9-15(18-17-14)16-11-3-7-13(20)8-4-11/h1-9,19-20H,(H2,16,17,18)
Definition date:2016-02-22
Last modified:2016-04-01
Release date:2016-04-06
Identifier:4-{5-[(4-hydroxyphenyl)amino]-1H-pyrazol-3-yl}phenol
69U
69U
Name:4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol
Formula:C22 H19 N3 O3
SMILES:C(Nc1nnc(c1c2ccc(cc2)O)c3ccc(cc3)O)c4ccc(cc4)O
InChi:InChI=1S/C22H19N3O3/c26-17-7-1-14(2-8-17)13-23-22-20(15-3-9-18(27)10-4-15)21(24-25-22)16-5-11-19(28)12-6-16/h1-12,26-28H,13H2,(H2,23,24,25)
Definition date:2016-02-22
Last modified:2016-04-01
Release date:2016-04-06
Identifier:4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol
69W
69W
Name:4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-5-amine
Formula:C15 H14 N4
SMILES:Nc1cccc(c1)c2cc(ccc2)c3c(N)nnc3
InChi:InChI=1S/C15H14N4/c16-13-6-2-4-11(8-13)10-3-1-5-12(7-10)14-9-18-19-15(14)17/h1-9H,16H2,(H3,17,18,19)
Definition date:2016-02-23
Last modified:2016-04-01
Release date:2016-04-06
Identifier:4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-5-amine
6CB
6CB
Name:3-amino-N-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide
Formula:C23 H19 F N6 O
SMILES:c4(cc(c3c(NC(=O)c1c(ccc(n1)c2ccccc2F)N)cncc3)cc(N)n4)C
InChi:InChI=1S/C23H19FN6O/c1-13-10-14(11-21(26)28-13)15-8-9-27-12-20(15)30-23(31)22-18(25)6-7-19(29-22)16-4-2-3-5-17(16)24/h2-12H,25H2,1H3,(H2,26,28)(H,30,31)
Definition date:2016-03-09
Last modified:2016-04-01
Release date:2016-04-06
Identifier:3-amino-N-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide
DJ6
DJ6
Name:2,5-dichloro-N-(pyridin-3-yl)thiophene-3-carboxamide
Formula:C10 H6 Cl2 N2 O S
SMILES:c2cc(NC(=O)c1cc(sc1Cl)Cl)cnc2
InChi:InChI=1S/C10H6Cl2N2OS/c11-8-4-7(9(12)16-8)10(15)14-6-2-1-3-13-5-6/h1-5H,(H,14,15)
Definition date:2016-03-15
Last modified:2016-04-01
Release date:2016-04-06
Identifier:2,5-dichloro-N-(pyridin-3-yl)thiophene-3-carboxamide
YS6
YS6
Name:1-pyridin-4-ylthiourea
Formula:C6 H7 N3 S
SMILES:NC(=S)Nc1ccncc1
InChi:InChI=1S/C6H7N3S/c7-6(10)9-5-1-3-8-4-2-5/h1-4H,(H3,7,8,9,10)
Definition date:2016-03-12
Last modified:2016-03-25
Release date:2016-03-30
Identifier:1-pyridin-4-ylthiourea
HCK
HCK
Name:4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid
Formula:C18 H14 N2 O4 S
SMILES:COc1ccc(cc1)C(=O)Nc2sc(cn2)c3ccc(cc3)C(O)=O
InChi:InChI=1S/C18H14N2O4S/c1-24-14-8-6-12(7-9-14)16(21)20-18-19-10-15(25-18)11-2-4-13(5-3-11)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)
Definition date:2015-11-17
Last modified:2016-03-25
Release date:2016-03-30
Identifier:4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid
58Q
58Q
Name:6-methoxy-4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile
Formula:C29 H29 F3 N8 O S
SMILES:c12sc(CC(F)(F)F)cc1c(ncn2)NC3CCN(CC3)Cc4c(cc5n(c(cc5c4C)C#N)Cc6cnnc6)OC
InChi:InChI=1S/C29H29F3N8OS/c1-17-22-7-20(11-33)40(14-18-12-36-37-13-18)25(22)9-26(41-2)24(17)15-39-5-3-19(4-6-39)38-27-23-8-21(10-29(30,31)32)42-28(23)35-16-34-27/h7-9,12-13,16,19H,3-6,10,14-15H2,1-2H3,(H,36,37)(H,34,35,38)
Definition date:2015-08-21
Last modified:2016-03-25
Release date:2016-03-30
Identifier:6-methoxy-4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile
4S9
4S9
Name:tert-butyl [(1S)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate
Formula:C13 H17 Br N2 O4
SMILES:c1(ccc(cc1)Br)C(C(NO)=O)NC(OC(C)(C)C)=O
InChi:InChI=1S/C13H17BrN2O4/c1-13(2,3)20-12(18)15-10(11(17)16-19)8-4-6-9(14)7-5-8/h4-7,10,19H,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1
Definition date:2015-05-20
Last modified:2016-03-25
Release date:2016-03-30
Identifier:tert-butyl [(1S)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate
4SA
4SA
Name:tert-butyl [(1S)-1-(biphenyl-4-yl)-2-(hydroxyamino)-2-oxoethyl]carbamate
Formula:C19 H22 N2 O4
SMILES:c2ccc(c1ccc(C(NC(OC(C)(C)C)=O)C(NO)=O)cc1)cc2
InChi:InChI=1S/C19H22N2O4/c1-19(2,3)25-18(23)20-16(17(22)21-24)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12,16,24H,1-3H3,(H,20,23)(H,21,22)/t16-/m0/s1
Definition date:2015-05-20
Last modified:2016-03-25
Release date:2016-03-30
Identifier:tert-butyl [(1S)-1-(biphenyl-4-yl)-2-(hydroxyamino)-2-oxoethyl]carbamate
4SY
4SY
Name:tert-butyl {(1S)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}carbamate
Formula:C17 H22 N4 O4
SMILES:c1(ccc(cc1)c2cnn(c2)C)C(NC(OC(C)(C)C)=O)C(=O)NO
InChi:InChI=1S/C17H22N4O4/c1-17(2,3)25-16(23)19-14(15(22)20-24)12-7-5-11(6-8-12)13-9-18-21(4)10-13/h5-10,14,24H,1-4H3,(H,19,23)(H,20,22)/t14-/m0/s1
Definition date:2015-05-21
Last modified:2016-03-25
Release date:2016-03-30
Identifier:tert-butyl {(1S)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}carbamate
4SZ
4SZ
Name:tert-butyl [(1S)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]carbamate
Formula:C19 H19 F3 N2 O4
SMILES:CC(OC(NC(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO)=O)(C)C
InChi:InChI=1S/C19H19F3N2O4/c1-19(2,3)28-18(26)23-16(17(25)24-27)11-6-4-10(5-7-11)12-8-13(20)15(22)14(21)9-12/h4-9,16,27H,1-3H3,(H,23,26)(H,24,25)/t16-/m0/s1
Definition date:2015-05-21
Last modified:2016-03-25
Release date:2016-03-30
Identifier:tert-butyl [(1S)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]carbamate
4T2
4T2
Name:tert-butyl {(1S)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}carbamate
Formula:C20 H24 N4 O5
SMILES:CC(OC(NC(c1ccc(cc1)c2cccc(c2)C(=NO)N)C(=O)NO)=O)(C)C
InChi:InChI=1S/C20H24N4O5/c1-20(2,3)29-19(26)22-16(18(25)24-28)13-9-7-12(8-10-13)14-5-4-6-15(11-14)17(21)23-27/h4-11,16,27-28H,1-3H3,(H2,21,23)(H,22,26)(H,24,25)/t16-/m0/s1
Definition date:2015-05-21
Last modified:2016-03-25
Release date:2016-03-30
Identifier:tert-butyl {(1S)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}carbamate
4TK
4TK
Name:N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
Formula:C13 H17 Br N2 O3
SMILES:C(c1ccc(Br)cc1)(NC(=O)C(C)(C)C)C(=O)NO
InChi:InChI=1S/C13H17BrN2O3/c1-13(2,3)12(18)15-10(11(17)16-19)8-4-6-9(14)7-5-8/h4-7,10,19H,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1
Definition date:2015-05-22
Last modified:2016-03-25
Release date:2016-03-30
Identifier:N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
4TL
4TL
Name:N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide
Formula:C19 H19 F3 N2 O3
SMILES:CC(C)(C(NC(c1ccc(cc1)c2cc(F)c(F)c(F)c2)C(=O)NO)=O)C
InChi:InChI=1S/C19H19F3N2O3/c1-19(2,3)18(26)23-16(17(25)24-27)11-6-4-10(5-7-11)12-8-13(20)15(22)14(21)9-12/h4-9,16,27H,1-3H3,(H,23,26)(H,24,25)/t16-/m1/s1
Definition date:2015-05-22
Last modified:2016-03-25
Release date:2016-03-30
Identifier:N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide
4TM
4TM
Name:N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide
Formula:C17 H20 N2 O3 S
SMILES:CC(C)(C(NC(c1ccc(cc1)c2ccsc2)C(=O)NO)=O)C
InChi:InChI=1S/C17H20N2O3S/c1-17(2,3)16(21)18-14(15(20)19-22)12-6-4-11(5-7-12)13-8-9-23-10-13/h4-10,14,22H,1-3H3,(H,18,21)(H,19,20)/t14-/m1/s1
Definition date:2015-05-22
Last modified:2016-03-25
Release date:2016-03-30
Identifier:N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide
4TY
4TY
Name:tert-butyl [(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate
Formula:C13 H17 Br N2 O4
SMILES:c1(ccc(cc1)Br)C(C(NO)=O)NC(=O)OC(C)(C)C
InChi:InChI=1S/C13H17BrN2O4/c1-13(2,3)20-12(18)15-10(11(17)16-19)8-4-6-9(14)7-5-8/h4-7,10,19H,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1
Definition date:2015-05-27
Last modified:2016-03-25
Release date:2016-03-30
Identifier:tert-butyl [(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate
4U5
4U5
Name:N-{(1R)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide
Formula:C17 H22 N4 O3
SMILES:CC(C)(C)C(NC(C(=O)NO)c1ccc(cc1)c2cnn(c2)C)=O
InChi:InChI=1S/C17H22N4O3/c1-17(2,3)16(23)19-14(15(22)20-24)12-7-5-11(6-8-12)13-9-18-21(4)10-13/h5-10,14,24H,1-4H3,(H,19,23)(H,20,22)/t14-/m1/s1
Definition date:2015-05-27
Last modified:2016-03-25
Release date:2016-03-30
Identifier:N-{(1R)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide

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数据于2025-04-02公开中

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