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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
VXK
VXK
表記:5-bromo-N-propylthiophene-3-carboxamide
組成式:C8 H10 Br N O S
SMILES:O=C(NCCC)c1csc(Br)c1
InChi:InChI=1S/C8H10BrNOS/c1-2-3-10-8(11)6-4-7(9)12-5-6/h4-5H,2-3H2,1H3,(H,10,11)
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-propylthiophene-3-carboxamide
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
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
VYB
VYB
表記:2-{[(3-bromophenyl)methyl]amino}ethan-1-ol
組成式:C9 H12 Br N O
SMILES:Brc1cc(CNCCO)ccc1
InChi:InChI=1S/C9H12BrNO/c10-9-3-1-2-8(6-9)7-11-4-5-12/h1-3,6,11-12H,4-5,7H2
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-{[(3-bromophenyl)methyl]amino}ethan-1-ol
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
VYO
VYO
表記:methyl [(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
組成式:C5 H7 N3 O2 S2
SMILES:O=C(OC)CSc1nnc(N)s1
InChi:InChI=1S/C5H7N3O2S2/c1-10-3(9)2-11-5-8-7-4(6)12-5/h2H2,1H3,(H2,6,7)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:methyl [(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
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
VYZ
VYZ
表記:N-(4-nitrophenyl)acetamide
組成式:C8 H8 N2 O3
SMILES:O=C(C)Nc1ccc(cc1)N(=O)=O
InChi:InChI=1S/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5H,1H3,(H,9,11)
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-nitrophenyl)acetamide
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
VZ9
VZ9
表記:2-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}ethan-1-ol
組成式:C13 H19 F N2 O
SMILES:OCCN1CCN(CC1)Cc1ccc(F)cc1
InChi:InChI=1S/C13H19FN2O/c14-13-3-1-12(2-4-13)11-16-7-5-15(6-8-16)9-10-17/h1-4,17H,5-11H2
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:2-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}ethan-1-ol
VZC
VZC
表記:2-cyano-N-methyl-N-phenylacetamide
組成式:C10 H10 N2 O
SMILES:CN(C(=O)CC#N)c1ccccc1
InChi:InChI=1S/C10H10N2O/c1-12(10(13)7-8-11)9-5-3-2-4-6-9/h2-6H,7H2,1H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:2-cyano-N-methyl-N-phenylacetamide
VZH
VZH
表記:4-methoxy-N-methylbenzamide
組成式:C9 H11 N O2
SMILES:COc1ccc(cc1)C(=O)NC
InChi:InChI=1S/C9H11NO2/c1-10-9(11)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3,(H,10,11)
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-methoxy-N-methylbenzamide
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
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
VZU
VZU
表記:ethyl (4-aminophenyl)methylcarbamate
組成式:C10 H14 N2 O2
SMILES:Nc1ccc(cc1)N(C)C(=O)OCC
InChi:InChI=1S/C10H14N2O2/c1-3-14-10(13)12(2)9-6-4-8(11)5-7-9/h4-7H,3,11H2,1-2H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:ethyl (4-aminophenyl)methylcarbamate
W00
W00
表記:2-[(2-amino-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)acetamide
組成式:C10 H11 F N2 O2 S
SMILES:O=C(Nc1ccc(F)cc1)CSCC(N)=O
InChi:InChI=1S/C10H11FN2O2S/c11-7-1-3-8(4-2-7)13-10(15)6-16-5-9(12)14/h1-4H,5-6H2,(H2,12,14)(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）:2-[(2-amino-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)acetamide
W0C
W0C
表記:N-(pentan-3-yl)-N'-(pyridin-3-yl)urea
組成式:C11 H17 N3 O
SMILES:O=C(Nc1cccnc1)NC(CC)CC
InChi:InChI=1S/C11H17N3O/c1-3-9(4-2)13-11(15)14-10-6-5-7-12-8-10/h5-9H,3-4H2,1-2H3,(H2,13,14,15)
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-(pentan-3-yl)-N'-(pyridin-3-yl)urea
W0H
W0H
表記:2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide
組成式:C11 H14 F N O3
SMILES:COCCNC(=O)COc1ccc(F)cc1
InChi:InChI=1S/C11H14FNO3/c1-15-7-6-13-11(14)8-16-10-4-2-9(12)3-5-10/h2-5H,6-8H2,1H3,(H,13,14)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide
W0N
W0N
表記:N-(2-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
組成式:C10 H17 N3 O
SMILES:O=C(NC(C)(C)CCC)c1cc[NH]n1
InChi:InChI=1S/C10H17N3O/c1-4-6-10(2,3)12-9(14)8-5-7-11-13-8/h5,7H,4,6H2,1-3H3,(H,11,13)(H,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-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
W0R
W0R
表記:3-[(2-methylpropyl)sulfanyl]-N-(pyridin-3-yl)propanamide
組成式:C12 H18 N2 O S
SMILES:O=C(Nc1cccnc1)CCSCC(C)C
InChi:InChI=1S/C12H18N2OS/c1-10(2)9-16-7-5-12(15)14-11-4-3-6-13-8-11/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,14,15)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:3-[(2-methylpropyl)sulfanyl]-N-(pyridin-3-yl)propanamide
W0X
W0X
表記:3-[(3-bromophenyl)methanesulfonyl]propanoic acid
組成式:C10 H11 Br O4 S
SMILES:Brc1cc(CS(=O)(=O)CCC(=O)O)ccc1
InChi:InChI=1S/C10H11BrO4S/c11-9-3-1-2-8(6-9)7-16(14,15)5-4-10(12)13/h1-3,6H,4-5,7H2,(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）:3-[(3-bromophenyl)methanesulfonyl]propanoic acid
W18
W18
表記:4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide
組成式:C11 H16 N2 O2
SMILES:O=C(NC(CC)CO)c1ccc(N)cc1
InChi:InChI=1S/C11H16N2O2/c1-2-10(7-14)13-11(15)8-3-5-9(12)6-4-8/h3-6,10,14H,2,7,12H2,1H3,(H,13,15)/t10-/m1/s1
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-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide
W1E
W1E
表記:2-methylpropyl [(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]acetate
組成式:C10 H16 O4 S
SMILES:O=S1(=O)C=CC(CC(=O)OCC(C)C)C1
InChi:InChI=1S/C10H16O4S/c1-8(2)6-14-10(11)5-9-3-4-15(12,13)7-9/h3-4,8-9H,5-7H2,1-2H3/t9-/m0/s1
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-methylpropyl [(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]acetate

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件を2024-07-24に公開中

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