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K0M
K0M
表記:3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
組成式:C9 H10 N4 O2
SMILES:N(c1nn(cc1)C)C(c2onc(C)c2)=O
InChi:InChI=1S/C9H10N4O2/c1-6-5-7(15-12-6)9(14)10-8-3-4-13(2)11-8/h3-5H,1-2H3,(H,10,11,14)
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
K0P
K0P
表記:N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide
組成式:C12 H14 N4 O
SMILES:N(Cc1cnn(c1)CC)C(c2cnccc2)=O
InChi:InChI=1S/C12H14N4O/c1-2-16-9-10(7-15-16)6-14-12(17)11-4-3-5-13-8-11/h3-5,7-9H,2,6H2,1H3,(H,14,17)
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide
K0S
K0S
表記:N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
組成式:C11 H12 N4 O S
SMILES:n1nc(CCC)sc1NC(c2ncccc2)=O
InChi:InChI=1S/C11H12N4OS/c1-2-5-9-14-15-11(17-9)13-10(16)8-6-3-4-7-12-8/h3-4,6-7H,2,5H2,1H3,(H,13,15,16)
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
K0V
K0V
表記:methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate
組成式:C12 H22 N2 O3
SMILES:N(C(C)(C)C)C(=O)N1CCC(CC1)C(OC)=O
InChi:InChI=1S/C12H22N2O3/c1-12(2,3)13-11(16)14-7-5-9(6-8-14)10(15)17-4/h9H,5-8H2,1-4H3,(H,13,16)
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate
K0Y
K0Y
表記:methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate
組成式:C8 H10 N2 O4
SMILES:n1c(C(NCC(OC)=O)=O)cc(C)o1
InChi:InChI=1S/C8H10N2O4/c1-5-3-6(10-14-5)8(12)9-4-7(11)13-2/h3H,4H2,1-2H3,(H,9,12)
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate
K1A
K1A
表記:3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one
組成式:C9 H11 N3 O2 S
SMILES:N1(C(SC(=N1)C)=O)Cc2c(C)noc2C
InChi:InChI=1S/C9H11N3O2S/c1-5-8(6(2)14-11-5)4-12-9(13)15-7(3)10-12/h4H2,1-3H3
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one
K1D
K1D
表記:6-(azetidin-1-yl)-9H-purine
組成式:C8 H9 N5
SMILES:n2cnc1ncnc1c2N3CCC3
InChi:InChI=1S/C8H9N5/c1-2-13(3-1)8-6-7(10-4-9-6)11-5-12-8/h4-5H,1-3H2,(H,9,10,11,12)
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:6-(azetidin-1-yl)-9H-purine
K1G
K1G
表記:N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
組成式:C10 H15 N5
SMILES:n1cnc2n(C)ncc2c1N(C)C(C)C
InChi:InChI=1S/C10H15N5/c1-7(2)14(3)9-8-5-13-15(4)10(8)12-6-11-9/h5-7H,1-4H3
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
K1J
K1J
表記:(2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
組成式:C9 H15 N3 O S
SMILES:n1c(snc1C)N2C(C)C(C)OCC2
InChi:InChI=1S/C9H15N3OS/c1-6-7(2)13-5-4-12(6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:(2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
K1P
K1P
表記:1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane
組成式:C8 H14 N4 S
SMILES:n1c(snc1C)N2CCNCCC2
InChi:InChI=1S/C8H14N4S/c1-7-10-8(13-11-7)12-5-2-3-9-4-6-12/h9H,2-6H2,1H3
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane
K1S
K1S
表記:N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
組成式:C10 H15 N5
SMILES:n1c(cc(n2ncnc12)N(CC)CC)C
InChi:InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
K1V
K1V
表記:(3R)-1-acetylpiperidine-3-carboxamide
組成式:C8 H14 N2 O2
SMILES:NC(C1CCCN(C1)C(C)=O)=O
InChi:InChI=1S/C8H14N2O2/c1-6(11)10-4-2-3-7(5-10)8(9)12/h7H,2-5H2,1H3,(H2,9,12)/t7-/m1/s1
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:(3R)-1-acetylpiperidine-3-carboxamide
K1Y
K1Y
表記:methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate
組成式:C12 H12 N2 O2 S
SMILES:n1c(C)sc(c1c2ccccc2)NC(OC)=O
InChi:InChI=1S/C12H12N2O2S/c1-8-13-10(9-6-4-3-5-7-9)11(17-8)14-12(15)16-2/h3-7H,1-2H3,(H,14,15)
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate
K24
K24
表記:N,2-dimethyl-1,3-thiazole-5-carboxamide
組成式:C6 H8 N2 O S
SMILES:n1cc(C(NC)=O)sc1C
InChi:InChI=1S/C6H8N2OS/c1-4-8-3-5(10-4)6(9)7-2/h3H,1-2H3,(H,7,9)
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:N,2-dimethyl-1,3-thiazole-5-carboxamide
K2G
K2G
表記:5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide
組成式:C8 H10 Cl N3 O
SMILES:n1c(c(cnc1C(C)C)Cl)C(=O)N
InChi:InChI=1S/C8H10ClN3O/c1-4(2)8-11-3-5(9)6(12-8)7(10)13/h3-4H,1-2H3,(H2,10,13)
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide
K2J
K2J
表記:4-methoxy-N-methylpyrimidin-2-amine
組成式:C6 H9 N3 O
SMILES:n1ccc(OC)nc1NC
InChi:InChI=1S/C6H9N3O/c1-7-6-8-4-3-5(9-6)10-2/h3-4H,1-2H3,(H,7,8,9)
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:4-methoxy-N-methylpyrimidin-2-amine
K2M
K2M
表記:4-(furan-2-carbonyl)piperazine-1-carboxamide
組成式:C10 H13 N3 O3
SMILES:N2(CCN(C(=O)c1occc1)CC2)C(N)=O
InChi:InChI=1S/C10H13N3O3/c11-10(15)13-5-3-12(4-6-13)9(14)8-2-1-7-16-8/h1-2,7H,3-6H2,(H2,11,15)
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:4-(furan-2-carbonyl)piperazine-1-carboxamide
KHM
KHM
表記:(1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
組成式:C20 H20 N4 O4
SMILES:c1ccccc1c4cc(O)n2c(c(cn2)C(NC3CCCCC3C(O)=O)=O)n4
InChi:InChI=1S/C20H20N4O4/c25-17-10-16(12-6-2-1-3-7-12)22-18-14(11-21-24(17)18)19(26)23-15-9-5-4-8-13(15)20(27)28/h1-3,6-7,10-11,13,15,25H,4-5,8-9H2,(H,23,26)(H,27,28)/t13-,15+/m1/s1
定義日:2018-12-07
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:(1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
K2P
K2P
表記:2-(trifluoromethoxy)benzoic acid
組成式:C8 H5 F3 O3
SMILES:c1ccc(c(c1)OC(F)(F)F)C(O)=O
InChi:InChI=1S/C8H5F3O3/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:2-(trifluoromethoxy)benzoic acid
K2S
K2S
表記:N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide
組成式:C7 H13 N3 O2 S
SMILES:n1nc(C)c(c1C)S(N(C)C)(=O)=O
InChi:InChI=1S/C7H13N3O2S/c1-5-7(6(2)9-8-5)13(11,12)10(3)4/h1-4H3,(H,8,9)
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide
K2V
K2V
表記:(1R)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine
組成式:C12 H13 N3
SMILES:n2cc(c1ccc(cc1)C(N)C)cnc2
InChi:InChI=1S/C12H13N3/c1-9(13)10-2-4-11(5-3-10)12-6-14-8-15-7-12/h2-9H,13H2,1H3/t9-/m1/s1
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:(1R)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine
K31
K31
表記:2-(3,5-dimethyl-1H-pyrazol-4-yl)aniline
組成式:C11 H13 N3
SMILES:n2nc(c(c1ccccc1N)c2C)C
InChi:InChI=1S/C11H13N3/c1-7-11(8(2)14-13-7)9-5-3-4-6-10(9)12/h3-6H,12H2,1-2H3,(H,13,14)
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:2-(3,5-dimethyl-1H-pyrazol-4-yl)aniline
K34
K34
表記:5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole
組成式:C5 H4 N4 S
SMILES:n1c(ncn1)c2nccs2
InChi:InChI=1S/C5H4N4S/c1-2-10-5(6-1)4-7-3-8-9-4/h1-3H,(H,7,8,9)
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole
K3A
K3A
表記:N-(5-methyl-1H-pyrazol-3-yl)acetamide
組成式:C6 H9 N3 O
SMILES:n1nc(NC(C)=O)cc1C
InChi:InChI=1S/C6H9N3O/c1-4-3-6(9-8-4)7-5(2)10/h3H,1-2H3,(H2,7,8,9,10)
定義日:2018-10-25
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:N-(5-methyl-1H-pyrazol-3-yl)acetamide
HJG
HJG
表記:2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol
組成式:C18 H18 Cl N3 O
SMILES:c4cc(C3(c2n1cccc(C(C)(C)O)c1nn2)CC3)ccc4Cl
InChi:InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3
定義日:2018-07-05
最終更新日:2018-12-14
公開日:2018-12-19
識別子（ID）:2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol

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