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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
V6R
V6R
表記:(2S)-2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide
組成式:C12 H17 F N2 O
SMILES:Fc1ccccc1CN(C)C(=O)C(N)CC
InChi:InChI=1S/C12H17FN2O/c1-3-11(14)12(16)15(2)8-9-6-4-5-7-10(9)13/h4-7,11H,3,8,14H2,1-2H3/t11-/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)-2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide
V6Z
V6Z
表記:methyl N-(2-chlorobenzoyl)glycinate
組成式:C10 H10 Cl N O3
SMILES:O=C(NCC(=O)OC)c1ccccc1Cl
InChi:InChI=1S/C10H10ClNO3/c1-15-9(13)6-12-10(14)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,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）:methyl N-(2-chlorobenzoyl)glycinate
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
V73
V73
表記:N-(2-hydroxyethyl)-N-methyl-2-phenylacetamide
組成式:C11 H15 N O2
SMILES:O=C(Cc1ccccc1)N(C)CCO
InChi:InChI=1S/C11H15NO2/c1-12(7-8-13)11(14)9-10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3
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-hydroxyethyl)-N-methyl-2-phenylacetamide
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
V7C
V7C
表記:N-[(2R)-2-cyanopropyl]benzamide
組成式:C11 H12 N2 O
SMILES:O=C(NCC(C)C#N)c1ccccc1
InChi:InChI=1S/C11H12N2O/c1-9(7-12)8-13-11(14)10-5-3-2-4-6-10/h2-6,9H,8H2,1H3,(H,13,14)/t9-/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）:N-[(2R)-2-cyanopropyl]benzamide
WKH
WKH
表記:N~2~-[(1R)-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-/m1/s1
定義日:2022-09-19
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N~2~-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide
WKL
WKL
表記:N-(2-aminoethyl)-N-(cyanomethyl)thiophene-2-carboxamide
組成式:C9 H11 N3 O S
SMILES:O=C(N(CCN)CC#N)c1cccs1
InChi:InChI=1S/C9H11N3OS/c10-3-5-12(6-4-11)9(13)8-2-1-7-14-8/h1-2,7H,3,5-6,10H2
定義日:2022-09-20
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-(2-aminoethyl)-N-(cyanomethyl)thiophene-2-carboxamide
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
VNC
VNC
表記:methyl N-(benzenesulfonyl)-N-methylglycinate
組成式:C10 H13 N O4 S
SMILES:O=S(=O)(N(C)CC(=O)OC)c1ccccc1
InChi:InChI=1S/C10H13NO4S/c1-11(8-10(12)15-2)16(13,14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
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-(benzenesulfonyl)-N-methylglycinate
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
VNN
VNN
表記:(4-methylpiperazin-1-yl)(5-methylthiophen-3-yl)methanone
組成式:C11 H16 N2 O S
SMILES:Cc1cc(cs1)C(=O)N1CCN(C)CC1
InChi:InChI=1S/C11H16N2OS/c1-9-7-10(8-15-9)11(14)13-5-3-12(2)4-6-13/h7-8H,3-6H2,1-2H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(4-methylpiperazin-1-yl)(5-methylthiophen-3-yl)methanone
WLK
WLK
表記:[(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone
組成式:C24 H23 N7 O S
SMILES:O=C(N1CC(Nc2nc(ccn2)n2cc(nc2c2ccccc2)C2CC2)CC1)c1nccs1
InChi:InChI=1S/C24H23N7OS/c32-23(22-25-11-13-33-22)30-12-9-18(14-30)27-24-26-10-8-20(29-24)31-15-19(16-6-7-16)28-21(31)17-4-2-1-3-5-17/h1-5,8,10-11,13,15-16,18H,6-7,9,12,14H2,(H,26,27,29)/t18-/m1/s1
定義日:2022-09-28
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:[(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone
V8E
V8E
表記:(4-butanoylpiperazin-1-yl)acetic acid
組成式:C10 H18 N2 O3
SMILES:OC(=O)CN1CCN(CC1)C(=O)CCC
InChi:InChI=1S/C10H18N2O3/c1-2-3-9(13)12-6-4-11(5-7-12)8-10(14)15/h2-8H2,1H3,(H,14,15)
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(4-butanoylpiperazin-1-yl)acetic acid
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
VNU
VNU
表記:N-(1-phenylcyclobutyl)glycinamide
組成式:C12 H16 N2 O
SMILES:O=C(NC1(CCC1)c1ccccc1)CN
InChi:InChI=1S/C12H16N2O/c13-9-11(15)14-12(7-4-8-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2,(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）:N-(1-phenylcyclobutyl)glycinamide
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
VO5
VO5
表記:N-ethyl-2-methoxybenzene-1-sulfonamide
組成式:C9 H13 N O3 S
SMILES:O=S(=O)(NCC)c1ccccc1OC
InChi:InChI=1S/C9H13NO3S/c1-3-10-14(11,12)9-7-5-4-6-8(9)13-2/h4-7,10H,3H2,1-2H3
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-ethyl-2-methoxybenzene-1-sulfonamide
VO9
VO9
表記:N-cyclopropyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
組成式:C10 H13 N O2 S
SMILES:O=C(N(CCO)C1CC1)c1cccs1
InChi:InChI=1S/C10H13NO2S/c12-6-5-11(8-3-4-8)10(13)9-2-1-7-14-9/h1-2,7-8,12H,3-6H2
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-cyclopropyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
V92
V92
表記:4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile
組成式:C10 H6 N2 O2
SMILES:OC=1c2ccccc2NC(=O)C=1C#N
InChi:InChI=1S/C10H6N2O2/c11-5-7-9(13)6-3-1-2-4-8(6)12-10(7)14/h1-4H,(H2,12,13,14)
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile
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
OAU
OAU
表記:3-[(1~{S},2~{R},3~{S},6~{S})-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-yl-cyclohexyl]-1~{H}-indole
組成式:C21 H24 N2
SMILES:CC(=C)[CH]1CC[C](C)(C=C)[CH]([N+]#[C-])[CH]1c2c[nH]c3ccccc23
InChi:InChI=1S/C21H24N2/c1-6-21(4)12-11-15(14(2)3)19(20(21)22-5)17-13-23-18-10-8-7-9-16(17)18/h6-10,13,15,19-20,23H,1-2,11-12H2,3-4H3/t15-,19+,20-,21-/m1/s1
別名:12-epi-hapalindole C isoniltrile
定義日:2022-09-01
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:3-[(1~{S},2~{R},3~{S},6~{S})-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-yl-cyclohexyl]-1~{H}-indole
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

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件を2024-08-07に公開中

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