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8IS
8IS
表記:N-[(2S)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-2,2-diphenyl-ethanamide
組成式:C24 H32 N2 O2
SMILES:O[CH](CNCC1CCCCC1)CNC(=O)C(c2ccccc2)c3ccccc3
InChi:InChI=1S/C24H32N2O2/c27-22(17-25-16-19-10-4-1-5-11-19)18-26-24(28)23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h2-3,6-9,12-15,19,22-23,25,27H,1,4-5,10-11,16-18H2,(H,26,28)/t22-/m0/s1
別名:N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide
定義日:2021-10-21
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:~{N}-[(2~{S})-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-2,2-diphenyl-ethanamide
8IV
8IV
表記:N-[(2R)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-2,2-diphenyl-ethanamide
組成式:C24 H32 N2 O2
SMILES:O[CH](CNCC1CCCCC1)CNC(=O)C(c2ccccc2)c3ccccc3
InChi:InChI=1S/C24H32N2O2/c27-22(17-25-16-19-10-4-1-5-11-19)18-26-24(28)23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h2-3,6-9,12-15,19,22-23,25,27H,1,4-5,10-11,16-18H2,(H,26,28)/t22-/m1/s1
別名:N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide
定義日:2021-10-21
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:~{N}-[(2~{R})-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-2,2-diphenyl-ethanamide
8UW
8UW
表記:N-[(2R)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-3,3-diphenyl-propanamide
組成式:C25 H34 N2 O2
SMILES:O[CH](CNCC1CCCCC1)CNC(=O)CC(c2ccccc2)c3ccccc3
InChi:InChI=1S/C25H34N2O2/c28-23(18-26-17-20-10-4-1-5-11-20)19-27-25(29)16-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h2-3,6-9,12-15,20,23-24,26,28H,1,4-5,10-11,16-19H2,(H,27,29)/t23-/m1/s1
別名:N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide
定義日:2021-11-01
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:~{N}-[(2~{R})-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-3,3-diphenyl-propanamide
PW0
PW0
表記:(~{Z})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pent-2-enedioic acid
組成式:C13 H17 N2 O9 P
SMILES:Cc1ncc(CO[P](O)(O)=O)c(CN=C(CCC(O)=O)C(O)=O)c1O
InChi:InChI=1S/C13H17N2O9P/c1-7-12(18)9(8(4-14-7)6-24-25(21,22)23)5-15-10(13(19)20)2-3-11(16)17/h4,18H,2-3,5-6H2,1H3,(H,16,17)(H,19,20)(H2,21,22,23)
定義日:2022-10-05
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylimino]pentanedioic acid
QJI
QJI
表記:~{N}-(2-chlorophenyl)-6-piperidin-4-yl-imidazo[1,2-a]pyridine-3-carboxamide
組成式:C19 H19 Cl N4 O
SMILES:Clc1ccccc1NC(=O)c2cnc3ccc(cn23)C4CCNCC4
InChi:InChI=1S/C19H19ClN4O/c20-15-3-1-2-4-16(15)23-19(25)17-11-22-18-6-5-14(12-24(17)18)13-7-9-21-10-8-13/h1-6,11-13,21H,7-10H2,(H,23,25)
定義日:2022-11-08
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:~{N}-(2-chlorophenyl)-6-piperidin-4-yl-imidazo[1,2-a]pyridine-3-carboxamide
QNR
QNR
表記:3~{H}-pyrrolo[2,3-c]isoquinolin-5-amine
組成式:C11 H9 N3
SMILES:Nc1nc2[nH]ccc2c3ccccc13
InChi:InChI=1S/C11H9N3/c12-10-8-4-2-1-3-7(8)9-5-6-13-11(9)14-10/h1-6H,(H3,12,13,14)
定義日:2022-11-09
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:3~{H}-pyrrolo[2,3-c]isoquinolin-5-amine
R1O
R1O
表記:N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-lysine
組成式:C14 H24 N3 O7 P
SMILES:Oc1c(CNC(CCCCN)C(=O)O)c(cnc1C)COP(=O)(O)O
InChi:InChI=1S/C14H24N3O7P/c1-9-13(18)11(10(6-16-9)8-24-25(21,22)23)7-17-12(14(19)20)4-2-3-5-15/h6,12,17-18H,2-5,7-8,15H2,1H3,(H,19,20)(H2,21,22,23)/t12-/m1/s1
定義日:2022-06-15
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-lysine
IIQ
IIQ
表記:~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-propyl-pyrrolo[3,2-b]pyridine-3-carboxamide
組成式:C21 H22 N6 O3
SMILES:CCCn1cc(C(=O)Nc2cc(NCCOC)c(cn2)C#N)c3nc(C=O)ccc13
InChi:InChI=1S/C21H22N6O3/c1-3-7-27-12-16(20-18(27)5-4-15(13-28)25-20)21(29)26-19-9-17(23-6-8-30-2)14(10-22)11-24-19/h4-5,9,11-13H,3,6-8H2,1-2H3,(H2,23,24,26,29)
定義日:2022-07-01
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-propyl-pyrrolo[3,2-b]pyridine-3-carboxamide
IIW
IIW
表記:6-bromanyl-~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
組成式:C24 H26 Br N7 O4
SMILES:COCCNc1cc(NC(=O)c2cn(CCN3CCOCC3)c4cc(Br)c(C=O)nc24)ncc1C#N
InChi:InChI=1S/C24H26BrN7O4/c1-35-7-2-27-19-11-22(28-13-16(19)12-26)30-24(34)17-14-32(4-3-31-5-8-36-9-6-31)21-10-18(25)20(15-33)29-23(17)21/h10-11,13-15H,2-9H2,1H3,(H2,27,28,30,34)
定義日:2022-07-01
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:6-bromanyl-~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
IWQ
IWQ
表記:(2S)-2-[[(2S)-2-[2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid
組成式:C32 H35 N9 O8
SMILES:NC1=Nc2nc(cnc2C(=O)N1)C(=O)NCC(=O)N[CH](Cc3ccccc3)C(=O)N[CH](CCCCNC(=O)OCc4ccccc4)C(O)=O
InChi:InChI=1S/C32H35N9O8/c33-31-40-26-25(29(45)41-31)35-16-23(38-26)27(43)36-17-24(42)37-22(15-19-9-3-1-4-10-19)28(44)39-21(30(46)47)13-7-8-14-34-32(48)49-18-20-11-5-2-6-12-20/h1-6,9-12,16,21-22H,7-8,13-15,17-18H2,(H,34,48)(H,36,43)(H,37,42)(H,39,44)(H,46,47)(H3,33,38,40,41,45)/t21-,22-/m0/s1
定義日:2022-07-27
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:(2~{S})-2-[[(2~{S})-2-[2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid
XMV
XMV
表記:4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}benzonitrile
組成式:C27 H28 F3 N5 O2
SMILES:C1N(C(CCCC)CN(C1=O)c2cc(OC(F)(F)F)ccc2)Cc3cncn3Cc4ccc(cc4)C#N
InChi:InChI=1S/C27H28F3N5O2/c1-2-3-5-23-17-35(22-6-4-7-25(12-22)37-27(28,29)30)26(36)18-33(23)16-24-14-32-19-34(24)15-21-10-8-20(13-31)9-11-21/h4,6-12,14,19,23H,2-3,5,15-18H2,1H3/t23-/m0/s1
定義日:2020-12-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}benzonitrile
XN4
XN4
表記:(5S)-5-butyl-4-({1-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one
組成式:C26 H28 Cl F3 N4 O2
SMILES:c4cc(N1CC(CCCC)N(CC1=O)Cc2n(cnc2)Cc3ccc(cc3)Cl)cc(c4)OC(F)(F)F
InChi:InChI=1S/C26H28ClF3N4O2/c1-2-3-5-22-16-34(21-6-4-7-24(12-21)36-26(28,29)30)25(35)17-32(22)15-23-13-31-18-33(23)14-19-8-10-20(27)11-9-19/h4,6-13,18,22H,2-3,5,14-17H2,1H3/t22-/m0/s1
定義日:2020-12-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(5S)-5-butyl-4-({1-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one
WQO
WQO
表記:(1R,2S)-1-[(4-amino-2-hydroxybenzoyl)oxy]-2,3-dihydro-1H-indene-2-carboxylic acid
組成式:C17 H15 N O5
SMILES:Nc1ccc(c(O)c1)C(=O)OC1c2ccccc2CC1C(=O)O
InChi:InChI=1S/C17H15NO5/c18-10-5-6-12(14(19)8-10)17(22)23-15-11-4-2-1-3-9(11)7-13(15)16(20)21/h1-6,8,13,15,19H,7,18H2,(H,20,21)/t13-,15-/m0/s1
定義日:2022-10-13
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(1R,2S)-1-[(4-amino-2-hydroxybenzoyl)oxy]-2,3-dihydro-1H-indene-2-carboxylic acid
XO1
XO1
表記:4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}-2-fluorobenzonitrile
組成式:C27 H27 F4 N5 O2
SMILES:c4cc(N1CC(CCCC)N(CC1=O)Cc2n(cnc2)Cc3ccc(C#N)c(c3)F)cc(c4)OC(F)(F)F
InChi:InChI=1S/C27H27F4N5O2/c1-2-3-5-22-16-36(21-6-4-7-24(11-21)38-27(29,30)31)26(37)17-34(22)15-23-13-33-18-35(23)14-19-8-9-20(12-32)25(28)10-19/h4,6-11,13,18,22H,2-3,5,14-17H2,1H3/t22-/m0/s1
定義日:2020-12-22
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}-2-fluorobenzonitrile
XO4
XO4
表記:(5S)-5-butyl-4-({1-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one
組成式:C26 H28 F4 N4 O2
SMILES:C2C(=O)N(c1cc(ccc1)OC(F)(F)F)CC(CCCC)N2Cc3n(cnc3)Cc4ccc(F)cc4
InChi:InChI=1S/C26H28F4N4O2/c1-2-3-5-22-16-34(21-6-4-7-24(12-21)36-26(28,29)30)25(35)17-32(22)15-23-13-31-18-33(23)14-19-8-10-20(27)11-9-19/h4,6-13,18,22H,2-3,5,14-17H2,1H3/t22-/m0/s1
定義日:2020-12-22
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(5S)-5-butyl-4-({1-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one
XO7
XO7
表記:(5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-propyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one
組成式:C25 H26 Br F3 N4 O2
SMILES:c1ccc(cc1OC(F)(F)F)N2CC(CCC)N(CC2=O)Cc4cncn4Cc3ccc(Br)cc3
InChi:InChI=1S/C25H26BrF3N4O2/c1-2-4-21-15-33(20-5-3-6-23(11-20)35-25(27,28)29)24(34)16-31(21)14-22-12-30-17-32(22)13-18-7-9-19(26)10-8-18/h3,5-12,17,21H,2,4,13-16H2,1H3/t21-/m0/s1
定義日:2020-12-22
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-propyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one
XOA
XOA
表記:(5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-(3-chlorophenyl)piperazin-2-one
組成式:C25 H28 Br Cl N4 O
SMILES:c4cc(N1C(CN(C(CCCC)C1)Cc2n(cnc2)Cc3ccc(Br)cc3)=O)cc(c4)Cl
InChi:InChI=1S/C25H28BrClN4O/c1-2-3-6-23-16-31(22-7-4-5-21(27)12-22)25(32)17-29(23)15-24-13-28-18-30(24)14-19-8-10-20(26)11-9-19/h4-5,7-13,18,23H,2-3,6,14-17H2,1H3/t23-/m0/s1
定義日:2020-12-22
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-(3-chlorophenyl)piperazin-2-one
WW0
WW0
表記:2-hydroxy-N-(pentan-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide
組成式:C12 H16 N4 O2
SMILES:CCC(CC)NC(=O)c1ccnc2[NH]c(O)nc12
InChi:InChI=1S/C12H16N4O2/c1-3-7(4-2)14-11(17)8-5-6-13-10-9(8)15-12(18)16-10/h5-7H,3-4H2,1-2H3,(H,14,17)(H2,13,15,16,18)
定義日:2022-10-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:2-hydroxy-N-(pentan-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide
WWC
WWC
表記:1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide
組成式:C10 H12 N6 O
SMILES:CC1(CC1)C(=O)NNc1ncnc2nc[NH]c12
InChi:InChI=1S/C10H12N6O/c1-10(2-3-10)9(17)16-15-8-6-7(12-4-11-6)13-5-14-8/h4-5H,2-3H2,1H3,(H,16,17)(H2,11,12,13,14,15)
定義日:2022-10-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide
WWH
WWH
表記:3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide
組成式:C18 H28 N6 O
SMILES:CCC(NC(=O)CCC1CCCCC1)CNc1ncnc2[NH]cnc21
InChi:InChI=1S/C18H28N6O/c1-2-14(24-15(25)9-8-13-6-4-3-5-7-13)10-19-17-16-18(21-11-20-16)23-12-22-17/h11-14H,2-10H2,1H3,(H,24,25)(H2,19,20,21,22,23)/t14-/m0/s1
定義日:2022-10-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide
WWN
WWN
表記:2-cyclohexyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}acetamide
組成式:C17 H26 N6 O
SMILES:CCC(NC(=O)CC1CCCCC1)CNc1ncnc2nc[NH]c12
InChi:InChI=1S/C17H26N6O/c1-2-13(23-14(24)8-12-6-4-3-5-7-12)9-18-16-15-17(20-10-19-15)22-11-21-16/h10-13H,2-9H2,1H3,(H,23,24)(H2,18,19,20,21,22)/t13-/m0/s1
定義日:2022-10-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:2-cyclohexyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}acetamide
WWT
WWT
表記:2-hydroxy-N-propyl-3H-imidazo[4,5-b]pyridine-7-carboxamide
組成式:C10 H12 N4 O2
SMILES:CCCNC(=O)c1ccnc2[NH]c(O)nc12
InChi:InChI=1S/C10H12N4O2/c1-2-4-12-9(15)6-3-5-11-8-7(6)13-10(16)14-8/h3,5H,2,4H2,1H3,(H,12,15)(H2,11,13,14,16)
定義日:2022-10-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:2-hydroxy-N-propyl-3H-imidazo[4,5-b]pyridine-7-carboxamide
WX6
WX6
表記:(azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone
組成式:C13 H16 N4 O2
SMILES:O=C(c1ccnc2[NH]c(O)nc21)N1CCCCCC1
InChi:InChI=1S/C13H16N4O2/c18-12(17-7-3-1-2-4-8-17)9-5-6-14-11-10(9)15-13(19)16-11/h5-6H,1-4,7-8H2,(H2,14,15,16,19)
定義日:2022-10-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone
WXB
WXB
表記:6-(azepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
組成式:C14 H16 N4 O3
SMILES:O=C(c1cc2C(=O)NC(=O)Nc2nc1)N1CCCCCC1
InChi:InChI=1S/C14H16N4O3/c19-12-10-7-9(8-15-11(10)16-14(21)17-12)13(20)18-5-3-1-2-4-6-18/h7-8H,1-6H2,(H2,15,16,17,19,21)
定義日:2022-10-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:6-(azepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
ZGY
ZGY
表記:2-[(5-bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide
組成式:C19 H15 Br F N7 O3 S
SMILES:NC(=O)c1c(F)cccc1Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCC#N)ncc1Br
InChi:InChI=1S/C19H15BrFN7O3S/c20-13-10-24-19(26-11-4-6-12(7-5-11)32(30,31)25-9-8-22)28-18(13)27-15-3-1-2-14(21)16(15)17(23)29/h1-7,10,25H,9H2,(H2,23,29)(H2,24,26,27,28)
定義日:2021-04-27
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:2-[(5-bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide

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件を2024-07-10に公開中

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