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W1I
W1I
表記:N'-(2-bromophenyl)-N,N-dimethylsulfuric diamide
組成式:C8 H11 Br N2 O2 S
SMILES:Brc1ccccc1NS(=O)(=O)N(C)C
InChi:InChI=1S/C8H11BrN2O2S/c1-11(2)14(12,13)10-8-6-4-3-5-7(8)9/h3-6,10H,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）:N'-(2-bromophenyl)-N,N-dimethylsulfuric diamide
W1N
W1N
表記:(3S)-3-amino-4-(2-fluorophenyl)butanoic acid
組成式:C10 H12 F N O2
SMILES:Fc1ccccc1CC(N)CC(=O)O
InChi:InChI=1S/C10H12FNO2/c11-9-4-2-1-3-7(9)5-8(12)6-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/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）:(3S)-3-amino-4-(2-fluorophenyl)butanoic acid
W1W
W1W
表記:6-[(pyridin-2-yl)sulfanyl]pyridin-3-amine
組成式:C10 H9 N3 S
SMILES:Nc1cnc(Sc2ncccc2)cc1
InChi:InChI=1S/C10H9N3S/c11-8-4-5-10(13-7-8)14-9-3-1-2-6-12-9/h1-7H,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）:6-[(pyridin-2-yl)sulfanyl]pyridin-3-amine
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
W25
W25
表記:(2R)-(3,4-difluorophenyl)(hydroxy)acetic acid
組成式:C8 H6 F2 O3
SMILES:Fc1ccc(cc1F)C(O)C(=O)O
InChi:InChI=1S/C8H6F2O3/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,11H,(H,12,13)/t7-/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）:(2R)-(3,4-difluorophenyl)(hydroxy)acetic acid
W2B
W2B
表記:N-cyclohexyl-2-(1H-pyrazol-1-yl)acetamide
組成式:C11 H17 N3 O
SMILES:O=C(NC1CCCCC1)Cn1cccn1
InChi:InChI=1S/C11H17N3O/c15-11(9-14-8-4-7-12-14)13-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(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-cyclohexyl-2-(1H-pyrazol-1-yl)acetamide
W2I
W2I
表記:1-[(3-aminophenyl)methyl]piperidin-4-ol
組成式:C12 H18 N2 O
SMILES:Nc1cc(CN2CCC(O)CC2)ccc1
InChi:InChI=1S/C12H18N2O/c13-11-3-1-2-10(8-11)9-14-6-4-12(15)5-7-14/h1-3,8,12,15H,4-7,9,13H2
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-[(3-aminophenyl)methyl]piperidin-4-ol
W2O
W2O
表記:D-phenylalaninamide
組成式:C9 H12 N2 O
SMILES:NC(Cc1ccccc1)C(N)=O
InChi:InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/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）:D-phenylalaninamide
W2U
W2U
表記:(2S)-2-phenoxypropanehydrazide
組成式:C9 H12 N2 O2
SMILES:CC(Oc1ccccc1)C(=O)NN
InChi:InChI=1S/C9H12N2O2/c1-7(9(12)11-10)13-8-5-3-2-4-6-8/h2-7H,10H2,1H3,(H,11,12)/t7-/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）:(2S)-2-phenoxypropanehydrazide
W36
W36
表記:2-amino-N-(3-fluoro-4-methylphenyl)ethane-1-sulfonamide
組成式:C9 H13 F N2 O2 S
SMILES:O=S(=O)(Nc1ccc(C)c(F)c1)CCN
InChi:InChI=1S/C9H13FN2O2S/c1-7-2-3-8(6-9(7)10)12-15(13,14)5-4-11/h2-3,6,12H,4-5,11H2,1H3
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-amino-N-(3-fluoro-4-methylphenyl)ethane-1-sulfonamide
W3B
W3B
表記:methyl N-[3-chloro-4-(difluoromethoxy)phenyl]glycinate
組成式:C10 H10 Cl F2 N O3
SMILES:Clc1cc(ccc1OC(F)F)NCC(=O)OC
InChi:InChI=1S/C10H10ClF2NO3/c1-16-9(15)5-14-6-2-3-8(7(11)4-6)17-10(12)13/h2-4,10,14H,5H2,1H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:methyl N-[3-chloro-4-(difluoromethoxy)phenyl]glycinate
W3H
W3H
表記:(3R)-3-(4-chlorobenzene-1-sulfonyl)butanoic acid
組成式:C10 H11 Cl O4 S
SMILES:O=S(=O)(c1ccc(Cl)cc1)C(C)CC(=O)O
InChi:InChI=1S/C10H11ClO4S/c1-7(6-10(12)13)16(14,15)9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/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）:(3R)-3-(4-chlorobenzene-1-sulfonyl)butanoic acid
W3Q
W3Q
表記:N-[(2-methoxyphenyl)methyl]urea
組成式:C9 H12 N2 O2
SMILES:COc1ccccc1CNC(N)=O
InChi:InChI=1S/C9H12N2O2/c1-13-8-5-3-2-4-7(8)6-11-9(10)12/h2-5H,6H2,1H3,(H3,10,11,12)
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-methoxyphenyl)methyl]urea
W3U
W3U
表記:1-benzyl-1H-pyrazole-4-carboxylic acid
組成式:C11 H10 N2 O2
SMILES:O=C(O)c1cn(Cc2ccccc2)nc1
InChi:InChI=1S/C11H10N2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(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）:1-benzyl-1H-pyrazole-4-carboxylic acid
W3Z
W3Z
表記:ethyl (3S)-1-(methanesulfonyl)piperidine-3-carboxylate
組成式:C9 H17 N O4 S
SMILES:O=S(C)(=O)N1CCCC(C1)C(=O)OCC
InChi:InChI=1S/C9H17NO4S/c1-3-14-9(11)8-5-4-6-10(7-8)15(2,12)13/h8H,3-7H2,1-2H3/t8-/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）:ethyl (3S)-1-(methanesulfonyl)piperidine-3-carboxylate
W4C
W4C
表記:2,4-dichloro-N-ethyl-N-(2-hydroxyethyl)benzamide
組成式:C11 H13 Cl2 N O2
SMILES:O=C(c1ccc(Cl)cc1Cl)N(CC)CCO
InChi:InChI=1S/C11H13Cl2NO2/c1-2-14(5-6-15)11(16)9-4-3-8(12)7-10(9)13/h3-4,7,15H,2,5-6H2,1H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:2,4-dichloro-N-ethyl-N-(2-hydroxyethyl)benzamide
W4H
W4H
表記:N-[(1S)-1-cyanopropyl]benzamide
組成式:C11 H12 N2 O
SMILES:O=C(NC(C#N)CC)c1ccccc1
InChi:InChI=1S/C11H12N2O/c1-2-10(8-12)13-11(14)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3,(H,13,14)/t10-/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）:N-[(1S)-1-cyanopropyl]benzamide
W4R
W4R
表記:methyl N-[(2,6-dichlorophenyl)acetyl]-N-methylglycinate
組成式:C12 H13 Cl2 N O3
SMILES:Clc1cccc(Cl)c1CC(=O)N(C)CC(=O)OC
InChi:InChI=1S/C12H13Cl2NO3/c1-15(7-12(17)18-2)11(16)6-8-9(13)4-3-5-10(8)14/h3-5H,6-7H2,1-2H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:methyl N-[(2,6-dichlorophenyl)acetyl]-N-methylglycinate
W4W
W4W
表記:({2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl}sulfanyl)acetonitrile
組成式:C11 H18 N2 O S
SMILES:O=C(CSCC#N)N1CCCCC1CC
InChi:InChI=1S/C11H18N2OS/c1-2-10-5-3-4-7-13(10)11(14)9-15-8-6-12/h10H,2-5,7-9H2,1H3/t10-/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-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl}sulfanyl)acetonitrile
W50
W50
表記:(2S)-1-(2-bromophenoxy)-3-(pyrrolidin-1-yl)propan-2-ol
組成式:C13 H18 Br N O2
SMILES:OC(COc1ccccc1Br)CN1CCCC1
InChi:InChI=1S/C13H18BrNO2/c14-12-5-1-2-6-13(12)17-10-11(16)9-15-7-3-4-8-15/h1-2,5-6,11,16H,3-4,7-10H2/t11-/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）:(2S)-1-(2-bromophenoxy)-3-(pyrrolidin-1-yl)propan-2-ol
W55
W55
表記:2H-1-benzopyran-3-carboxylic acid
組成式:C10 H8 O3
SMILES:O=C(O)C1=Cc2ccccc2OC1
InChi:InChI=1S/C10H8O3/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H,11,12)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:2H-1-benzopyran-3-carboxylic acid
W5C
W5C
表記:2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one
組成式:C11 H11 N3 O S
SMILES:Cn1cnnc1SCC(=O)c1ccccc1
InChi:InChI=1S/C11H11N3OS/c1-14-8-12-13-11(14)16-7-10(15)9-5-3-2-4-6-9/h2-6,8H,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-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one
W5H
W5H
表記:(1-methyl-1H-pyrrol-2-yl)acetic acid
組成式:C7 H9 N O2
SMILES:OC(=O)Cc1cccn1C
InChi:InChI=1S/C7H9NO2/c1-8-4-2-3-6(8)5-7(9)10/h2-4H,5H2,1H3,(H,9,10)
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-methyl-1H-pyrrol-2-yl)acetic acid
W5L
W5L
表記:(2R)-1-amino-3-(4-chloro-3-methylphenoxy)propan-2-ol
組成式:C10 H14 Cl N O2
SMILES:Cc1cc(OCC(O)CN)ccc1Cl
InChi:InChI=1S/C10H14ClNO2/c1-7-4-9(2-3-10(7)11)14-6-8(13)5-12/h2-4,8,13H,5-6,12H2,1H3/t8-/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）:(2R)-1-amino-3-(4-chloro-3-methylphenoxy)propan-2-ol
W5Q
W5Q
表記:N~2~-[(1S)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide
組成式:C12 H16 F2 N2 O
SMILES:Fc1cc(F)ccc1C(C)NCC(=O)NCC
InChi:InChI=1S/C12H16F2N2O/c1-3-15-12(17)7-16-8(2)10-5-4-9(13)6-11(10)14/h4-6,8,16H,3,7H2,1-2H3,(H,15,17)/t8-/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）:N~2~-[(1S)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide

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