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T4J
T4J
表記:N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
組成式:C13 H16 N2 O2 S
SMILES:N1(CCSCC1)C(c2cccc(c2)NC(C)=O)=O
InChi:InChI=1S/C13H16N2O2S/c1-10(16)14-12-4-2-3-11(9-12)13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,16)
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
T4M
T4M
表記:N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide
組成式:C14 H15 N O
SMILES:c1(cccc2c1cccc2)C(NC(=O)C)C
InChi:InChI=1S/C14H15NO/c1-10(15-11(2)16)13-9-5-7-12-6-3-4-8-14(12)13/h3-10H,1-2H3,(H,15,16)/t10-/m1/s1
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide
T2G
T2G
表記:1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one
組成式:C14 H20 N2 O
SMILES:N2(CCN(Cc1cccc(c1)C)CC2)C(=O)C
InChi:InChI=1S/C14H20N2O/c1-12-4-3-5-14(10-12)11-15-6-8-16(9-7-15)13(2)17/h3-5,10H,6-9,11H2,1-2H3
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one
T4Y
T4Y
表記:1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one
組成式:C15 H22 N2 O
SMILES:N2(CCCN(Cc1ccccc1C)CC2)C(=O)C
InChi:InChI=1S/C15H22N2O/c1-13-6-3-4-7-15(13)12-16-8-5-9-17(11-10-16)14(2)18/h3-4,6-7H,5,8-12H2,1-2H3
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one
T2V
T2V
表記:1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethan-1-one
組成式:C14 H16 N2 O S
SMILES:n2c(C1CCCN(C1)C(C)=O)sc3c2cccc3
InChi:InChI=1S/C14H16N2OS/c1-10(17)16-8-4-5-11(9-16)14-15-12-6-2-3-7-13(12)18-14/h2-3,6-7,11H,4-5,8-9H2,1H3/t11-/m1/s1
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethan-1-one
T54
T54
表記:(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide
組成式:C10 H13 N O S
SMILES:c1c(csc1)C2C(C(N)=O)CCC2
InChi:InChI=1S/C10H13NOS/c11-10(12)9-3-1-2-8(9)7-4-5-13-6-7/h4-6,8-9H,1-3H2,(H2,11,12)/t8-,9-/m1/s1
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide
T2Y
T2Y
表記:N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
組成式:C10 H11 N O3
SMILES:c2cc1c(OCO1)cc2CNC(C)=O
InChi:InChI=1S/C10H11NO3/c1-7(12)11-5-8-2-3-9-10(4-8)14-6-13-9/h2-4H,5-6H2,1H3,(H,11,12)
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
T5D
T5D
表記:[1-(pyridin-2-yl)cyclopentyl]methanol
組成式:C11 H15 N O
SMILES:c1ccc(nc1)C2(CCCC2)CO
InChi:InChI=1S/C11H15NO/c13-9-11(6-2-3-7-11)10-5-1-4-8-12-10/h1,4-5,8,13H,2-3,6-7,9H2
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:[1-(pyridin-2-yl)cyclopentyl]methanol
T5G
T5G
表記:4-bromobenzene-1-sulfonamide
組成式:C6 H6 Br N O2 S
SMILES:c1c(ccc(c1)Br)S(N)(=O)=O
InChi:InChI=1S/C6H6BrNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:4-bromobenzene-1-sulfonamide
T3G
T3G
表記:1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
組成式:C12 H14 F2 N2 O3 S
SMILES:N2(CCN(S(c1c(cccc1F)F)(=O)=O)CC2)C(=O)C
InChi:InChI=1S/C12H14F2N2O3S/c1-9(17)15-5-7-16(8-6-15)20(18,19)12-10(13)3-2-4-11(12)14/h2-4H,5-8H2,1H3
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
T3J
T3J
表記:1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one
組成式:C12 H14 F N O2
SMILES:c1(ccc(F)cc1)C2CN(C(C)=O)CCO2
InChi:InChI=1S/C12H14FNO2/c1-9(15)14-6-7-16-12(8-14)10-2-4-11(13)5-3-10/h2-5,12H,6-8H2,1H3/t12-/m0/s1
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one
T5V
T5V
表記:pyrimidin-5-amine
組成式:C4 H5 N3
SMILES:n1cncc(N)c1
InChi:InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:pyrimidin-5-amine
T5Y
T5Y
表記:pyridin-2-ol
組成式:C5 H5 N O
SMILES:c1nc(O)ccc1
InChi:InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:pyridin-2-ol
T6J
T6J
表記:2-[(methylsulfonyl)methyl]-1H-benzimidazole
組成式:C9 H10 N2 O2 S
SMILES:n1c(nc2ccccc12)CS(C)(=O)=O
InChi:InChI=1S/C9H10N2O2S/c1-14(12,13)6-9-10-7-4-2-3-5-8(7)11-9/h2-5H,6H2,1H3,(H,10,11)
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:2-[(methylsulfonyl)methyl]-1H-benzimidazole
T6M
T6M
表記:1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
組成式:C12 H15 Cl N2 O3 S
SMILES:N1(CCN(CC1)C(C)=O)S(c2ccc(cc2)Cl)(=O)=O
InChi:InChI=1S/C12H15ClN2O3S/c1-10(16)14-6-8-15(9-7-14)19(17,18)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
T6V
T6V
表記:N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-phenylacetamide
組成式:C12 H13 N O3 S
SMILES:c1cc(ccc1)N(C(C)=O)C2C=CS(C2)(=O)=O
InChi:InChI=1S/C12H13NO3S/c1-10(14)13(11-5-3-2-4-6-11)12-7-8-17(15,16)9-12/h2-8,12H,9H2,1H3/t12-/m0/s1
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-phenylacetamide
T71
T71
表記:1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
組成式:C14 H20 N2 O3 S
SMILES:N2(CCN(S(c1c(ccc(c1)C)C)(=O)=O)CC2)C(C)=O
InChi:InChI=1S/C14H20N2O3S/c1-11-4-5-12(2)14(10-11)20(18,19)16-8-6-15(7-9-16)13(3)17/h4-5,10H,6-9H2,1-3H3
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
T7A
T7A
表記:N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
組成式:C10 H10 N2 O2 S
SMILES:n2c1c(cccc1OC)sc2NC(C)=O
InChi:InChI=1S/C10H10N2O2S/c1-6(13)11-10-12-9-7(14-2)4-3-5-8(9)15-10/h3-5H,1-2H3,(H,11,12,13)
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
T7D
T7D
表記:N-(1-acetylpiperidin-4-yl)benzamide
組成式:C14 H18 N2 O2
SMILES:N(C1CCN(CC1)C(C)=O)C(c2ccccc2)=O
InChi:InChI=1S/C14H18N2O2/c1-11(17)16-9-7-13(8-10-16)15-14(18)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,15,18)
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:N-(1-acetylpiperidin-4-yl)benzamide
T7G
T7G
表記:1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
組成式:C14 H18 N2 O3
SMILES:N2(CCC(C(Nc1ccccc1O)=O)CC2)C(C)=O
InChi:InChI=1S/C14H18N2O3/c1-10(17)16-8-6-11(7-9-16)14(19)15-12-4-2-3-5-13(12)18/h2-5,11,18H,6-9H2,1H3,(H,15,19)
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
T7J
T7J
表記:N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide
組成式:C13 H15 N O3 S
SMILES:C=1S(CC(C=1)N(c2ccc(C)cc2)C(=O)C)(=O)=O
InChi:InChI=1S/C13H15NO3S/c1-10-3-5-12(6-4-10)14(11(2)15)13-7-8-18(16,17)9-13/h3-8,13H,9H2,1-2H3/t13-/m1/s1
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide
T7P
T7P
表記:N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide
組成式:C12 H12 F N O3 S
SMILES:C1(C=CS(C1)(=O)=O)N(C(C)=O)c2ccc(F)cc2
InChi:InChI=1S/C12H12FNO3S/c1-9(15)14(11-4-2-10(13)3-5-11)12-6-7-18(16,17)8-12/h2-7,12H,8H2,1H3/t12-/m1/s1
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide
T7S
T7S
表記:1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one
組成式:C13 H22 N2 O2
SMILES:N1(CCCCC1)C(C2CCN(CC2)C(C)=O)=O
InChi:InChI=1S/C13H22N2O2/c1-11(16)14-9-5-12(6-10-14)13(17)15-7-3-2-4-8-15/h12H,2-10H2,1H3
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one
T7V
T7V
表記:N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
組成式:C10 H12 Cl N O
SMILES:c1cc(Cl)cc(C(C)NC(=O)C)c1
InChi:InChI=1S/C10H12ClNO/c1-7(12-8(2)13)9-4-3-5-10(11)6-9/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
T7Y
T7Y
表記:N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
組成式:C12 H14 N2 O2
SMILES:N2(c1cccc(c1)NC(C)=O)CCCC2=O
InChi:InChI=1S/C12H14N2O2/c1-9(15)13-10-4-2-5-11(8-10)14-7-3-6-12(14)16/h2,4-5,8H,3,6-7H2,1H3,(H,13,15)
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

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件を2024-07-31に公開中

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