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W9E
W9E
表記:N-hydroxy-4-(trifluoromethyl)benzene-1-carboximidamide
組成式:C8 H7 F3 N2 O
SMILES:FC(F)(F)c1ccc(cc1)C(=N)NO
InChi:InChI=1S/C8H7F3N2O/c9-8(10,11)6-3-1-5(2-4-6)7(12)13-14/h1-4,14H,(H2,12,13)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-hydroxy-4-(trifluoromethyl)benzene-1-carboximidamide
VTC
VTC
表記:3-aminophenyl dimethylcarbamate
組成式:C9 H12 N2 O2
SMILES:O=C(Oc1cccc(N)c1)N(C)C
InChi:InChI=1S/C9H12N2O2/c1-11(2)9(12)13-8-5-3-4-7(10)6-8/h3-6H,10H2,1-2H3
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-aminophenyl dimethylcarbamate
UYR
UYR
表記:(2E)-2-cyano-3-(thiophen-3-yl)prop-2-enamide
組成式:C8 H6 N2 O S
SMILES:O=C(N)C(=C/c1ccsc1)/C#N
InChi:InChI=1S/C8H6N2OS/c9-4-7(8(10)11)3-6-1-2-12-5-6/h1-3,5H,(H2,10,11)/b7-3+
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(2E)-2-cyano-3-(thiophen-3-yl)prop-2-enamide
VTH
VTH
表記:4-methoxy-2-nitrobenzonitrile
組成式:C8 H6 N2 O3
SMILES:COc1ccc(C#N)c(c1)N(=O)=O
InChi:InChI=1S/C8H6N2O3/c1-13-7-3-2-6(5-9)8(4-7)10(11)12/h2-4H,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-methoxy-2-nitrobenzonitrile
VEX
VEX
表記:(2,3,4-trimethoxyphenyl)methanol
組成式:C10 H14 O4
SMILES:COc1c(OC)c(ccc1OC)CO
InChi:InChI=1S/C10H14O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(2,3,4-trimethoxyphenyl)methanol
W9O
W9O
表記:N-methyl-1-{(1S,2R)-2-[(1,2,4-triazolidin-1-yl)methyl]cyclohexyl}methanamine
組成式:C11 H24 N4
SMILES:CNCC1CCCCC1CN1CNCN1
InChi:InChI=1S/C11H24N4/c1-12-6-10-4-2-3-5-11(10)7-15-9-13-8-14-15/h10-14H,2-9H2,1H3/t10-,11+/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）:N-methyl-1-{(1S,2R)-2-[(1,2,4-triazolidin-1-yl)methyl]cyclohexyl}methanamine
VTO
VTO
表記:ethyl 2-aminopyridine-4-carboxylate
組成式:C8 H10 N2 O2
SMILES:Nc1cc(ccn1)C(=O)OCC
InChi:InChI=1S/C8H10N2O2/c1-2-12-8(11)6-3-4-10-7(9)5-6/h3-5H,2H2,1H3,(H2,9,10)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:ethyl 2-aminopyridine-4-carboxylate
W9U
W9U
表記:cyclohexyl[4-(hydroxyamino)piperidin-1-yl]methanone
組成式:C12 H22 N2 O2
SMILES:O=C(C1CCCCC1)N1CCC(NO)CC1
InChi:InChI=1S/C12H22N2O2/c15-12(10-4-2-1-3-5-10)14-8-6-11(13-16)7-9-14/h10-11,13,16H,1-9H2
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:cyclohexyl[4-(hydroxyamino)piperidin-1-yl]methanone
UZ8
UZ8
表記:[2-(methylsulfanyl)pyridin-3-yl](pyrrolidin-1-yl)methanone
組成式:C11 H14 N2 O S
SMILES:O=C(c1cccnc1SC)N1CCCC1
InChi:InChI=1S/C11H14N2OS/c1-15-10-9(5-4-6-12-10)11(14)13-7-2-3-8-13/h4-6H,2-3,7-8H2,1H3
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:[2-(methylsulfanyl)pyridin-3-yl](pyrrolidin-1-yl)methanone
VTT
VTT
表記:3-methylthiophene-2-carbohydrazide
組成式:C6 H8 N2 O S
SMILES:O=C(NN)c1sccc1C
InChi:InChI=1S/C6H8N2OS/c1-4-2-3-10-5(4)6(9)8-7/h2-3H,7H2,1H3,(H,8,9)
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-methylthiophene-2-carbohydrazide
VF9
VF9
表記:1-[(2S)-2-(furan-2-yl)azepan-1-yl]ethan-1-one
組成式:C12 H17 N O2
SMILES:CC(=O)N1CCCCCC1c1ccco1
InChi:InChI=1S/C12H17NO2/c1-10(14)13-8-4-2-3-6-11(13)12-7-5-9-15-12/h5,7,9,11H,2-4,6,8H2,1H3/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）:1-[(2S)-2-(furan-2-yl)azepan-1-yl]ethan-1-one
VTW
VTW
表記:3-phenyl-1,2-oxazole-5-carboxylic acid
組成式:C10 H7 N O3
SMILES:O=C(O)c1cc(no1)c1ccccc1
InChi:InChI=1S/C10H7NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-6H,(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-phenyl-1,2-oxazole-5-carboxylic acid
WA0
WA0
表記:(1R)-2-(1H-imidazol-2-yl)-1-phenylethan-1-amine
組成式:C11 H13 N3
SMILES:NC(Cc1ncc[NH]1)c1ccccc1
InChi:InChI=1S/C11H13N3/c12-10(8-11-13-6-7-14-11)9-4-2-1-3-5-9/h1-7,10H,8,12H2,(H,13,14)/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）:(1R)-2-(1H-imidazol-2-yl)-1-phenylethan-1-amine
VU5
VU5
表記:1-[(2S)-2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one
組成式:C8 H16 N2 O2
SMILES:O=C1CCCN1CC(O)CNC
InChi:InChI=1S/C8H16N2O2/c1-9-5-7(11)6-10-4-2-3-8(10)12/h7,9,11H,2-6H2,1H3/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）:1-[(2S)-2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one
WA8
WA8
表記:2-(2-oxopyridin-1(2H)-yl)-N,N-di(prop-2-en-1-yl)acetamide
組成式:C13 H16 N2 O2
SMILES:O=C(CN1C=CC=CC1=O)N(CC=C)CC=C
InChi:InChI=1S/C13H16N2O2/c1-3-8-14(9-4-2)13(17)11-15-10-6-5-7-12(15)16/h3-7,10H,1-2,8-9,11H2
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-(2-oxopyridin-1(2H)-yl)-N,N-di(prop-2-en-1-yl)acetamide
VFL
VFL
表記:(2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol
組成式:C11 H17 N O2
SMILES:NCC(O)COc1ccc(C)cc1C
InChi:InChI=1S/C11H17NO2/c1-8-3-4-11(9(2)5-8)14-7-10(13)6-12/h3-5,10,13H,6-7,12H2,1-2H3/t10-/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)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol
WAE
WAE
表記:N-(2,6-dimethylphenyl)methanesulfonamide
組成式:C9 H13 N O2 S
SMILES:O=S(C)(=O)Nc1c(C)cccc1C
InChi:InChI=1S/C9H13NO2S/c1-7-5-4-6-8(2)9(7)10-13(3,11)12/h4-6,10H,1-3H3
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-(2,6-dimethylphenyl)methanesulfonamide
VFR
VFR
表記:(3E)-N-benzyl-3-(hydroxyamino)-3-iminopropanamide
組成式:C10 H13 N3 O2
SMILES:N=C(NO)CC(=O)NCc1ccccc1
InChi:InChI=1S/C10H13N3O2/c11-9(13-15)6-10(14)12-7-8-4-2-1-3-5-8/h1-5,15H,6-7H2,(H2,11,13)(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）:(3E)-N-benzyl-3-(hydroxyamino)-3-iminopropanamide
VUE
VUE
表記:2-(4-chloro-2-nitroanilino)ethan-1-ol
組成式:C8 H9 Cl N2 O3
SMILES:Clc1cc(c(NCCO)cc1)N(=O)=O
InChi:InChI=1S/C8H9ClN2O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4H2
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-chloro-2-nitroanilino)ethan-1-ol
VUI
VUI
表記:4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene
組成式:C9 H10 Br N O4
SMILES:Brc1cc(c(OCCOC)cc1)N(=O)=O
InChi:InChI=1S/C9H10BrNO4/c1-14-4-5-15-9-3-2-7(10)6-8(9)11(12)13/h2-3,6H,4-5H2,1H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene
WAO
WAO
表記:2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
組成式:C10 H9 Cl F N3 O
SMILES:Fc1ccc(cc1Cl)CN1N=CN(C)C1=O
InChi:InChI=1S/C10H9ClFN3O/c1-14-6-13-15(10(14)16)5-7-2-3-9(12)8(11)4-7/h2-4,6H,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）:2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
VUN
VUN
表記:4-{[(propan-2-yl)oxy]methyl}benzoic acid
組成式:C11 H14 O3
SMILES:O=C(O)c1ccc(COC(C)C)cc1
InChi:InChI=1S/C11H14O3/c1-8(2)14-7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3,(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）:4-{[(propan-2-yl)oxy]methyl}benzoic acid
V03
V03
表記:(3S)-3-amino-3-(4-methoxyphenyl)propan-1-ol
組成式:C10 H15 N O2
SMILES:COc1ccc(cc1)C(N)CCO
InChi:InChI=1S/C10H15NO2/c1-13-9-4-2-8(3-5-9)10(11)6-7-12/h2-5,10,12H,6-7,11H2,1H3/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）:(3S)-3-amino-3-(4-methoxyphenyl)propan-1-ol
VUU
VUU
表記:N-cyclopropyl-N'-[2-(thiophen-2-yl)ethyl]guanidine
組成式:C10 H15 N3 S
SMILES:N=C(NCCc1cccs1)NC1CC1
InChi:InChI=1S/C10H15N3S/c11-10(13-8-3-4-8)12-6-5-9-2-1-7-14-9/h1-2,7-8H,3-6H2,(H3,11,12,13)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-cyclopropyl-N'-[2-(thiophen-2-yl)ethyl]guanidine
WAX
WAX
表記:(3-aminophenyl)(morpholin-4-yl)methanone
組成式:C11 H14 N2 O2
SMILES:O=C(c1cccc(N)c1)N1CCOCC1
InChi:InChI=1S/C11H14N2O2/c12-10-3-1-2-9(8-10)11(14)13-4-6-15-7-5-13/h1-3,8H,4-7,12H2
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-aminophenyl)(morpholin-4-yl)methanone

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件を2024-10-16に公開中

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