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V1U
V1U
表記:2-(2-methoxyethoxy)benzoic acid
組成式:C10 H12 O4
SMILES:O=C(O)c1ccccc1OCCOC
InChi:InChI=1S/C10H12O4/c1-13-6-7-14-9-5-3-2-4-8(9)10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:2-(2-methoxyethoxy)benzoic acid
VXB
VXB
表記:5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide
組成式:C9 H11 Br N2 O2
SMILES:O=C(NCCOC)c1cncc(Br)c1
InChi:InChI=1S/C9H11BrN2O2/c1-14-3-2-12-9(13)7-4-8(10)6-11-5-7/h4-6H,2-3H2,1H3,(H,12,13)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide
VI2
VI2
表記:N-(2-hydroxyethyl)-N'-(3-methylphenyl)thiourea
組成式:C10 H14 N2 O S
SMILES:S=C(Nc1cc(C)ccc1)NCCO
InChi:InChI=1S/C10H14N2OS/c1-8-3-2-4-9(7-8)12-10(14)11-5-6-13/h2-4,7,13H,5-6H2,1H3,(H2,11,12,14)
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-(2-hydroxyethyl)-N'-(3-methylphenyl)thiourea
VXF
VXF
表記:1-[2-(morpholin-4-yl)pyridin-4-yl]methanamine
組成式:C10 H15 N3 O
SMILES:NCc1cc(ncc1)N1CCOCC1
InChi:InChI=1S/C10H15N3O/c11-8-9-1-2-12-10(7-9)13-3-5-14-6-4-13/h1-2,7H,3-6,8,11H2
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:1-[2-(morpholin-4-yl)pyridin-4-yl]methanamine
VI8
VI8
表記:3-{[(pyridin-3-yl)methyl]amino}benzoic acid
組成式:C13 H12 N2 O2
SMILES:O=C(O)c1cc(NCc2cccnc2)ccc1
InChi:InChI=1S/C13H12N2O2/c16-13(17)11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h1-8,15H,9H2,(H,16,17)
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:3-{[(pyridin-3-yl)methyl]amino}benzoic acid
V29
V29
表記:(3R)-3-(benzylamino)oxolane-3-carboxylic acid
組成式:C12 H15 N O3
SMILES:O=C(O)C1(NCc2ccccc2)CCOC1
InChi:InChI=1S/C12H15NO3/c14-11(15)12(6-7-16-9-12)13-8-10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)/t12-/m1/s1
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(3R)-3-(benzylamino)oxolane-3-carboxylic acid
VIE
VIE
表記:2-(aminomethyl)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
組成式:C12 H18 N2
SMILES:CN(C)C1(Cc2ccccc2C1)CN
InChi:InChI=1S/C12H18N2/c1-14(2)12(9-13)7-10-5-3-4-6-11(10)8-12/h3-6H,7-9,13H2,1-2H3
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:2-(aminomethyl)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
V2L
V2L
表記:1-(1-benzyl-1H-imidazol-2-yl)methanamine
組成式:C11 H13 N3
SMILES:NCc1nccn1Cc1ccccc1
InChi:InChI=1S/C11H13N3/c12-8-11-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-7H,8-9,12H2
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:1-(1-benzyl-1H-imidazol-2-yl)methanamine
VXW
VXW
表記:N-[(4-methylphenyl)methyl]-3-oxobutanamide
組成式:C12 H15 N O2
SMILES:CC(=O)CC(=O)NCc1ccc(C)cc1
InChi:InChI=1S/C12H15NO2/c1-9-3-5-11(6-4-9)8-13-12(15)7-10(2)14/h3-6H,7-8H2,1-2H3,(H,13,15)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-[(4-methylphenyl)methyl]-3-oxobutanamide
VY2
VY2
表記:ethyl (3-methylanilino)(oxo)acetate
組成式:C11 H13 N O3
SMILES:O=C(Nc1cc(C)ccc1)C(=O)OCC
InChi:InChI=1S/C11H13NO3/c1-3-15-11(14)10(13)12-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,12,13)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:ethyl (3-methylanilino)(oxo)acetate
VIX
VIX
表記:(2R)-(4-chlorophenyl)(morpholin-4-yl)acetic acid
組成式:C12 H14 Cl N O3
SMILES:OC(=O)C(N1CCOCC1)c1ccc(Cl)cc1
InChi:InChI=1S/C12H14ClNO3/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14/h1-4,11H,5-8H2,(H,15,16)/t11-/m1/s1
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(2R)-(4-chlorophenyl)(morpholin-4-yl)acetic acid
V2U
V2U
表記:2-chloro-N-(3,5-dimethoxyphenyl)acetamide
組成式:C10 H12 Cl N O3
SMILES:COc1cc(cc(OC)c1)NC(=O)CCl
InChi:InChI=1S/C10H12ClNO3/c1-14-8-3-7(12-10(13)6-11)4-9(5-8)15-2/h3-5H,6H2,1-2H3,(H,12,13)
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:2-chloro-N-(3,5-dimethoxyphenyl)acetamide
S7X
S7X
表記:1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide
組成式:C22 H21 Cl F N5 O3
SMILES:Clc1cccc(CNC(=O)C2CCCN2C(=O)Cn2nc(c3ccccc32)C(N)=O)c1F
InChi:InChI=1S/C22H21ClFN5O3/c23-15-7-3-5-13(19(15)24)11-26-22(32)17-9-4-10-28(17)18(30)12-29-16-8-2-1-6-14(16)20(27-29)21(25)31/h1-3,5-8,17H,4,9-12H2,(H2,25,31)(H,26,32)/t17-/m0/s1
定義日:2022-06-24
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide
VY6
VY6
表記:2-[(morpholin-4-yl)methyl]furan-3-carboxylic acid
組成式:C10 H13 N O4
SMILES:O=C(O)c1ccoc1CN1CCOCC1
InChi:InChI=1S/C10H13NO4/c12-10(13)8-1-4-15-9(8)7-11-2-5-14-6-3-11/h1,4H,2-3,5-7H2,(H,12,13)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:2-[(morpholin-4-yl)methyl]furan-3-carboxylic acid
VJ9
VJ9
表記:ethyl 4-fluoro-3-nitrobenzoate
組成式:C9 H8 F N O4
SMILES:Fc1ccc(cc1N(=O)=O)C(=O)OCC
InChi:InChI=1S/C9H8FNO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:ethyl 4-fluoro-3-nitrobenzoate
VYK
VYK
表記:N~2~-[(3-chlorophenyl)methyl]-N~2~-methylglycinamide
組成式:C10 H13 Cl N2 O
SMILES:Clc1cc(CN(C)CC(N)=O)ccc1
InChi:InChI=1S/C10H13ClN2O/c1-13(7-10(12)14)6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3,(H2,12,14)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N~2~-[(3-chlorophenyl)methyl]-N~2~-methylglycinamide
VJI
VJI
表記:(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine
組成式:C10 H14 N2 O2
SMILES:NCC(N)c1ccc2OCCOc2c1
InChi:InChI=1S/C10H14N2O2/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5,8H,3-4,6,11-12H2/t8-/m0/s1
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine
V3F
V3F
表記:(5S)-5-methyl-5-phenylimidazolidine-2,4-dione
組成式:C10 H10 N2 O2
SMILES:CC1(NC(=O)NC1=O)c1ccccc1
InChi:InChI=1S/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(5S)-5-methyl-5-phenylimidazolidine-2,4-dione
VJO
VJO
表記:N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
組成式:C9 H11 N O4 S
SMILES:CS(=O)(=O)Nc1ccc2OCCOc2c1
InChi:InChI=1S/C9H11NO4S/c1-15(11,12)10-7-2-3-8-9(6-7)14-5-4-13-8/h2-3,6,10H,4-5H2,1H3
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
VYU
VYU
表記:4-(4-ethylpiperazin-1-yl)aniline
組成式:C12 H19 N3
SMILES:CCN1CCN(CC1)c1ccc(N)cc1
InChi:InChI=1S/C12H19N3/c1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12/h3-6H,2,7-10,13H2,1H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:4-(4-ethylpiperazin-1-yl)aniline
VZ3
VZ3
表記:3-bromo-4-methoxy-N-methylbenzene-1-sulfonamide
組成式:C8 H10 Br N O3 S
SMILES:COc1ccc(cc1Br)S(=O)(=O)NC
InChi:InChI=1S/C8H10BrNO3S/c1-10-14(11,12)6-3-4-8(13-2)7(9)5-6/h3-5,10H,1-2H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:3-bromo-4-methoxy-N-methylbenzene-1-sulfonamide
V40
V40
表記:(2S)-1-{[(1R,2R)-2-(aminomethyl)cyclohexyl]methyl}pyrrolidin-2-ol
組成式:C12 H24 N2 O
SMILES:NCC1CCCCC1CN1CCCC1O
InChi:InChI=1S/C12H24N2O/c13-8-10-4-1-2-5-11(10)9-14-7-3-6-12(14)15/h10-12,15H,1-9,13H2/t10-,11-,12-/m0/s1
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(2S)-1-{[(1R,2R)-2-(aminomethyl)cyclohexyl]methyl}pyrrolidin-2-ol
VZL
VZL
表記:N-{2-[(4R)-8-methylimidazo[1,2-a]pyridin-2-yl]ethyl}acetamide
組成式:C12 H15 N3 O
SMILES:CC(=O)NCCc1cn2cccc(C)c2n1
InChi:InChI=1S/C12H15N3O/c1-9-4-3-7-15-8-11(14-12(9)15)5-6-13-10(2)16/h3-4,7-8H,5-6H2,1-2H3,(H,13,16)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-{2-[(4R)-8-methylimidazo[1,2-a]pyridin-2-yl]ethyl}acetamide
V4C
V4C
表記:N-cyclopropyl-1-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide
組成式:C11 H19 N3 O2 S
SMILES:O=S(=O)(c1cn(C)nc1)N(CC(C)C)C1CC1
InChi:InChI=1S/C11H19N3O2S/c1-9(2)7-14(10-4-5-10)17(15,16)11-6-12-13(3)8-11/h6,8-10H,4-5,7H2,1-3H3
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-cyclopropyl-1-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide
VZQ
VZQ
表記:4-[(acetyloxy)methyl]benzoic acid
組成式:C10 H10 O4
SMILES:O=C(O)c1ccc(COC(C)=O)cc1
InChi:InChI=1S/C10H10O4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3,(H,12,13)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:4-[(acetyloxy)methyl]benzoic acid

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件を2024-07-10に公開中

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