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A1BGQ
A1BGQ
表記:N-[(2S)-3-[4-(aminomethyl)phenyl]-1-oxo-1-(piperidin-1-yl)propan-2-yl]benzamide
組成式:C22 H27 N3 O2
SMILES:O=C(C(Cc1ccc(CN)cc1)NC(=O)c1ccccc1)N1CCCCC1
InChi:InChI=1S/C22H27N3O2/c23-16-18-11-9-17(10-12-18)15-20(22(27)25-13-5-2-6-14-25)24-21(26)19-7-3-1-4-8-19/h1,3-4,7-12,20H,2,5-6,13-16,23H2,(H,24,26)/t20-/m0/s1
定義日:2024-11-11
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:N-[(2S)-3-[4-(aminomethyl)phenyl]-1-oxo-1-(piperidin-1-yl)propan-2-yl]benzamide
A1BGR
A1BGR
表記:N-{3-chloro-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl}-2-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide
組成式:C16 H18 Cl N3 O5
SMILES:O=C(Nc1cc(cc(Cl)c1)C(=O)NC(C)(C)CO)C1=CC(=O)N(C)O1
InChi:InChI=1S/C16H18ClN3O5/c1-16(2,8-21)19-14(23)9-4-10(17)6-11(5-9)18-15(24)12-7-13(22)20(3)25-12/h4-7,21H,8H2,1-3H3,(H,18,24)(H,19,23)
定義日:2024-11-11
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:N-{3-chloro-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl}-2-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide
A1BGU
A1BGU
表記:N-(1-methyl-1H-pyrazol-4-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide
組成式:C15 H18 N6 O
SMILES:O=C(Nc1cn(C)nc1)c1ccc2nc(NC(C)C)[NH]c2c1
InChi:InChI=1S/C15H18N6O/c1-9(2)17-15-19-12-5-4-10(6-13(12)20-15)14(22)18-11-7-16-21(3)8-11/h4-9H,1-3H3,(H,18,22)(H2,17,19,20)
定義日:2024-11-11
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:N-(1-methyl-1H-pyrazol-4-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide
A1BGV
A1BGV
表記:N-(5-carbamoyl-1H-pyrrol-3-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide
組成式:C16 H18 N6 O2
SMILES:NC(=O)c1cc(c[NH]1)NC(=O)c1ccc2nc(NC(C)C)[NH]c2c1
InChi:InChI=1S/C16H18N6O2/c1-8(2)19-16-21-11-4-3-9(5-12(11)22-16)15(24)20-10-6-13(14(17)23)18-7-10/h3-8,18H,1-2H3,(H2,17,23)(H,20,24)(H2,19,21,22)
定義日:2024-11-11
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:N-(5-carbamoyl-1H-pyrrol-3-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide
A1BGY
A1BGY
表記:5-cyclopropyl-1,2-dimethyl-N-(3-methylpyridin-4-yl)-1H-pyrrole-3-carboxamide
組成式:C16 H19 N3 O
SMILES:O=C(Nc1ccncc1C)c1cc(C2CC2)n(C)c1C
InChi:InChI=1S/C16H19N3O/c1-10-9-17-7-6-14(10)18-16(20)13-8-15(12-4-5-12)19(3)11(13)2/h6-9,12H,4-5H2,1-3H3,(H,17,18,20)
定義日:2024-11-11
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:5-cyclopropyl-1,2-dimethyl-N-(3-methylpyridin-4-yl)-1H-pyrrole-3-carboxamide
A1BGZ
A1BGZ
表記:(2M)-2-[2-(methoxymethyl)pyridin-4-yl]-N-(1-methyl-1H-pyrazol-4-yl)benzamide
組成式:C18 H18 N4 O2
SMILES:O=C(Nc1cn(C)nc1)c1ccccc1c1ccnc(COC)c1
InChi:InChI=1S/C18H18N4O2/c1-22-11-15(10-20-22)21-18(23)17-6-4-3-5-16(17)13-7-8-19-14(9-13)12-24-2/h3-11H,12H2,1-2H3,(H,21,23)
定義日:2024-11-11
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(2M)-2-[2-(methoxymethyl)pyridin-4-yl]-N-(1-methyl-1H-pyrazol-4-yl)benzamide
A1BHC
A1BHC
表記:3-chloro-5-[({3-[(dimethylamino)methyl]-4-hydroxyphenyl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
組成式:C21 H28 Cl N3 O3
SMILES:Clc1cc(cc(NCc2ccc(O)c(CN(C)C)c2)c1)C(=O)NC(C)(C)CO
InChi:InChI=1S/C21H28ClN3O3/c1-21(2,13-26)24-20(28)15-8-17(22)10-18(9-15)23-11-14-5-6-19(27)16(7-14)12-25(3)4/h5-10,23,26-27H,11-13H2,1-4H3,(H,24,28)
定義日:2024-11-11
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:3-chloro-5-[({3-[(dimethylamino)methyl]-4-hydroxyphenyl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
A1BIV
A1BIV
表記:6-(4-chlorophenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
組成式:C22 H17 Cl N4 O3
SMILES:Clc1ccc(cc1)c1[NH]c2c(C(=O)NC(=O)N2C)c1C1c2ccccc2N(C)C1=O
InChi:InChI=1S/C22H17ClN4O3/c1-26-14-6-4-3-5-13(14)15(21(26)29)16-17-19(27(2)22(30)25-20(17)28)24-18(16)11-7-9-12(23)10-8-11/h3-10,15,24H,1-2H3,(H,25,28,30)/t15-/m0/s1
定義日:2024-12-02
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:6-(4-chlorophenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
A1BIW
A1BIW
表記:N-[(5R)-1,1-dioxo-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepin-5-yl]-2-hydroxyquinoxaline-6-carboxamide
組成式:C19 H17 N3 O4 S
SMILES:Oc1cnc2cc(ccc2n1)C(=O)NC1CCCS(=O)(=O)c2ccccc21
InChi:InChI=1S/C19H17N3O4S/c23-18-11-20-16-10-12(7-8-15(16)21-18)19(24)22-14-5-3-9-27(25,26)17-6-2-1-4-13(14)17/h1-2,4,6-8,10-11,14H,3,5,9H2,(H,21,23)(H,22,24)/t14-/m1/s1
定義日:2024-12-02
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:N-[(5R)-1,1-dioxo-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepin-5-yl]-2-hydroxyquinoxaline-6-carboxamide
A1BIX
A1BIX
表記:(4S)-4-(3-ethoxyphenyl)-3-methyl-1-[(4R)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
組成式:C20 H19 N7 O2
SMILES:CCOc1cccc(c1)C1CC(=O)Nc2c1c(C)nn2c1ccc2nncn2n1
InChi:InChI=1S/C20H19N7O2/c1-3-29-14-6-4-5-13(9-14)15-10-18(28)22-20-19(15)12(2)24-27(20)17-8-7-16-23-21-11-26(16)25-17/h4-9,11,15H,3,10H2,1-2H3,(H,22,28)/t15-/m0/s1
定義日:2024-12-02
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(4S)-4-(3-ethoxyphenyl)-3-methyl-1-[(4R)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
A1BLQ
A1BLQ
表記:(2P)-2-(4-{[(3R)-1-methylpiperidin-3-yl]amino}-5,6,7,8-tetrahydrophthalazin-1-yl)-5-(trifluoromethyl)phenol
組成式:C21 H25 F3 N4 O
SMILES:CN1CCCC(Nc2nnc(c3ccc(cc3O)C(F)(F)F)c3CCCCc23)C1
InChi:InChI=1S/C21H25F3N4O/c1-28-10-4-5-14(12-28)25-20-16-7-3-2-6-15(16)19(26-27-20)17-9-8-13(11-18(17)29)21(22,23)24/h8-9,11,14,29H,2-7,10,12H2,1H3,(H,25,27)/t14-/m1/s1
定義日:2024-12-16
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(2P)-2-(4-{[(3R)-1-methylpiperidin-3-yl]amino}-5,6,7,8-tetrahydrophthalazin-1-yl)-5-(trifluoromethyl)phenol
A1BLR
A1BLR
表記:(2M)-2-(6-{[(3R)-1-methylpiperidin-3-yl]amino}pyridazin-3-yl)-5-(trifluoromethyl)phenol
組成式:C17 H19 F3 N4 O
SMILES:CN1CCCC(Nc2ccc(nn2)c2ccc(cc2O)C(F)(F)F)C1
InChi:InChI=1S/C17H19F3N4O/c1-24-8-2-3-12(10-24)21-16-7-6-14(22-23-16)13-5-4-11(9-15(13)25)17(18,19)20/h4-7,9,12,25H,2-3,8,10H2,1H3,(H,21,23)/t12-/m1/s1
定義日:2024-12-16
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(2M)-2-(6-{[(3R)-1-methylpiperidin-3-yl]amino}pyridazin-3-yl)-5-(trifluoromethyl)phenol
A1BLV
A1BLV
表記:(1R)-1-({(6M)-2-(methylamino)-6-[3-(pyrrolidin-1-yl)phenyl]pyrimidin-4-yl}amino)-2,3-dihydro-1H-indene-4-carbonitrile
組成式:C25 H26 N6
SMILES:N#Cc1cccc2c1CCC2Nc1cc(nc(NC)n1)c1cccc(c1)N1CCCC1
InChi:InChI=1S/C25H26N6/c1-27-25-29-23(17-6-4-8-19(14-17)31-12-2-3-13-31)15-24(30-25)28-22-11-10-20-18(16-26)7-5-9-21(20)22/h4-9,14-15,22H,2-3,10-13H2,1H3,(H2,27,28,29,30)/t22-/m1/s1
定義日:2024-12-17
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(1R)-1-({(6M)-2-(methylamino)-6-[3-(pyrrolidin-1-yl)phenyl]pyrimidin-4-yl}amino)-2,3-dihydro-1H-indene-4-carbonitrile
A1BN6
A1BN6
表記:(3S)-1-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)acetyl]piperidine-3-carboxamide
組成式:C15 H21 N3 O3
SMILES:O=C(CC1=C(C)C=C(C)NC1=O)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C15H21N3O3/c1-9-6-10(2)17-15(21)12(9)7-13(19)18-5-3-4-11(8-18)14(16)20/h6,11H,3-5,7-8H2,1-2H3,(H2,16,20)(H,17,21)/t11-/m0/s1
定義日:2025-01-10
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(3S)-1-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)acetyl]piperidine-3-carboxamide
A1BN7
A1BN7
表記:(3S)-1-[(5-chloro-1,2-thiazol-4-yl)di(fluoro)acetyl]piperidine-3-carboxamide
組成式:C11 H12 Cl F2 N3 O2 S
SMILES:FC(F)(c1cnsc1Cl)C(=O)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C11H12ClF2N3O2S/c12-8-7(4-16-20-8)11(13,14)10(19)17-3-1-2-6(5-17)9(15)18/h4,6H,1-3,5H2,(H2,15,18)/t6-/m0/s1
定義日:2025-01-10
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(3S)-1-[(5-chloro-1,2-thiazol-4-yl)di(fluoro)acetyl]piperidine-3-carboxamide
A1L0U
A1L0U
表記:2-[(2,6-dimethyl-5-oxidanyl-pyrimidin-4-yl)carbonylamino]ethanoic acid
組成式:C9 H11 N3 O4
SMILES:Cc1nc(C)c(O)c(n1)C(=O)NCC(O)=O
InChi:InChI=1S/C9H11N3O4/c1-4-8(15)7(12-5(2)11-4)9(16)10-3-6(13)14/h15H,3H2,1-2H3,(H,10,16)(H,13,14)
定義日:2024-04-19
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:2-[(2,6-dimethyl-5-oxidanyl-pyrimidin-4-yl)carbonylamino]ethanoic acid
A1L0V
A1L0V
表記:2-[[6-[(4-fluorophenyl)methyl]-2-methyl-5-oxidanyl-pyrimidin-4-yl]carbonylamino]ethanoic acid
組成式:C15 H14 F N3 O4
SMILES:Cc1nc(Cc2ccc(F)cc2)c(O)c(n1)C(=O)NCC(O)=O
InChi:InChI=1S/C15H14FN3O4/c1-8-18-11(6-9-2-4-10(16)5-3-9)14(22)13(19-8)15(23)17-7-12(20)21/h2-5,22H,6-7H2,1H3,(H,17,23)(H,20,21)
定義日:2024-04-19
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:2-[[6-[(4-fluorophenyl)methyl]-2-methyl-5-oxidanyl-pyrimidin-4-yl]carbonylamino]ethanoic acid
A1L0X
A1L0X
表記:2-[[6-methyl-5-oxidanyl-2-[(4-phenylphenyl)methyl]pyrimidin-4-yl]carbonylamino]ethanoic acid
組成式:C21 H19 N3 O4
SMILES:Cc1nc(Cc2ccc(cc2)c3ccccc3)nc(C(=O)NCC(O)=O)c1O
InChi:InChI=1S/C21H19N3O4/c1-13-20(27)19(21(28)22-12-18(25)26)24-17(23-13)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,27H,11-12H2,1H3,(H,22,28)(H,25,26)
定義日:2024-04-19
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:2-[[6-methyl-5-oxidanyl-2-[(4-phenylphenyl)methyl]pyrimidin-4-yl]carbonylamino]ethanoic acid
A1L4E
A1L4E
表記:5-azanyl-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol
組成式:C13 H6 F7 N O2
SMILES:Nc1ccc(Oc2c(F)c(F)c(c(F)c2F)C(F)(F)F)c(O)c1
InChi:InChI=1S/C13H6F7NO2/c14-8-7(13(18,19)20)9(15)11(17)12(10(8)16)23-6-2-1-4(21)3-5(6)22/h1-3,22H,21H2
定義日:2024-09-26
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:5-azanyl-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol
A1L4F
A1L4F
表記:5-(5-morpholin-4-ylpentylamino)-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol
組成式:C22 H23 F7 N2 O3
SMILES:Oc1cc(NCCCCCN2CCOCC2)ccc1Oc3c(F)c(F)c(c(F)c3F)C(F)(F)F
InChi:InChI=1S/C22H23F7N2O3/c23-17-16(22(27,28)29)18(24)20(26)21(19(17)25)34-15-5-4-13(12-14(15)32)30-6-2-1-3-7-31-8-10-33-11-9-31/h4-5,12,30,32H,1-3,6-11H2
定義日:2024-09-26
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:5-(5-morpholin-4-ylpentylamino)-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol
A1A3E
A1A3E
表記:(6S)-1-(4-chlorophenyl)-6-ethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
組成式:C11 H14 Cl N5
SMILES:Clc1ccc(cc1)N1C(N)=NC(N)=NC1CC
InChi:InChI=1S/C11H14ClN5/c1-2-9-15-10(13)16-11(14)17(9)8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3,(H4,13,14,15,16)/t9-/m0/s1
定義日:2024-08-23
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(6S)-1-(4-chlorophenyl)-6-ethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
V55
V55
表記:4-hydroxy-3-methoxybenzaldehyde
組成式:C8 H8 O3
SMILES:O=Cc1cc(OC)c(O)cc1
InChi:InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
別名:p-vanillin
定義日:2008-04-29
最終更新日:2025-02-21
識別子（ID）:4-hydroxy-3-methoxybenzaldehyde
AKR
AKR
表記:ACRYLIC ACID
組成式:C3 H4 O2
SMILES:O=C(O)C=C
InChi:InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
定義日:2000-11-28
最終更新日:2025-02-21
識別子（ID）:prop-2-enoic acid
XI9
XI9
表記:(3M,4aR,5aR)-3-(1H-tetrazol-5-yl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole
組成式:C8 H8 N6
SMILES:[NH]1nc(c2nnn[NH]2)c2CC3CC3c12
InChi:InChI=1S/C8H8N6/c1-3-2-5-6(4(1)3)9-10-7(5)8-11-13-14-12-8/h3-4H,1-2H2,(H,9,10)(H,11,12,13,14)/t3-,4-/m1/s1
定義日:2023-11-02
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(3M,4aR,5aR)-3-(1H-tetrazol-5-yl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole
XOT
XOT
表記:(4aR,5aR)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxylic acid
組成式:C8 H8 N2 O2
SMILES:O=C(O)c1n[NH]c2C3CC3Cc21
InChi:InChI=1S/C8H8N2O2/c11-8(12)7-5-2-3-1-4(3)6(5)9-10-7/h3-4H,1-2H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1
別名:MK 1903
定義日:2023-11-06
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(4aR,5aR)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxylic acid

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件を2025-07-09に公開中

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