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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
VST
VST
表記:(4Z)-6-fluoro-4-(methoxyimino)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione
組成式:C10 H10 F N O3 S
SMILES:Fc1ccc2c(c1)C(/CCS2(=O)=O)=NOC
InChi:InChI=1S/C10H10FNO3S/c1-15-12-9-4-5-16(13,14)10-3-2-7(11)6-8(9)10/h2-3,6H,4-5H2,1H3/b12-9-
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(4Z)-6-fluoro-4-(methoxyimino)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione
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
VE0
VE0
表記:N-hydroxy-2-(piperidin-1-yl)pyridine-3-carboximidamide
組成式:C11 H16 N4 O
SMILES:N=C(NO)c1cccnc1N1CCCCC1
InChi:InChI=1S/C11H16N4O/c12-10(14-16)9-5-4-6-13-11(9)15-7-2-1-3-8-15/h4-6,16H,1-3,7-8H2,(H2,12,14)
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-hydroxy-2-(piperidin-1-yl)pyridine-3-carboximidamide
VE3
VE3
表記:N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide
組成式:C9 H15 N3 O S
SMILES:O=C(c1snnc1CC)N(CC)CC
InChi:InChI=1S/C9H15N3OS/c1-4-7-8(14-11-10-7)9(13)12(5-2)6-3/h4-6H2,1-3H3
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide
WAH
WAH
表記:N-ethyl-1-(4-fluorophenyl)methanesulfonamide
組成式:C9 H12 F N O2 S
SMILES:Fc1ccc(CS(=O)(=O)NCC)cc1
InChi:InChI=1S/C9H12FNO2S/c1-2-11-14(12,13)7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-ethyl-1-(4-fluorophenyl)methanesulfonamide
VEC
VEC
表記:methyl N-(3-hydroxybenzoyl)-N-methylglycinate
組成式:C11 H13 N O4
SMILES:O=C(c1cc(O)ccc1)N(C)CC(=O)OC
InChi:InChI=1S/C11H13NO4/c1-12(7-10(14)16-2)11(15)8-4-3-5-9(13)6-8/h3-6,13H,7H2,1-2H3
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:methyl N-(3-hydroxybenzoyl)-N-methylglycinate
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
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
WB6
WB6
表記:5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]-1H-imidazole-4-sulfonamide
組成式:C10 H18 Cl N3 O2 S
SMILES:Clc1c(ncn1C)S(=O)(=O)N(C)C(C)CCC
InChi:InChI=1S/C10H18ClN3O2S/c1-5-6-8(2)14(4)17(15,16)10-9(11)13(3)7-12-10/h7-8H,5-6H2,1-4H3/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）:5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]-1H-imidazole-4-sulfonamide
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
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
VF3
VF3
表記:4-(thiophene-2-sulfonyl)morpholine
組成式:C8 H11 N O3 S2
SMILES:O=S(=O)(N1CCOCC1)c1cccs1
InChi:InChI=1S/C8H11NO3S2/c10-14(11,8-2-1-7-13-8)9-3-5-12-6-4-9/h1-2,7H,3-6H2
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-(thiophene-2-sulfonyl)morpholine
WBL
WBL
表記:propyl (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
組成式:C8 H13 N3 O2 S2
SMILES:Nc1nnc(SC(C)C(=O)OCCC)s1
InChi:InChI=1S/C8H13N3O2S2/c1-3-4-13-6(12)5(2)14-8-11-10-7(9)15-8/h5H,3-4H2,1-2H3,(H2,9,10)/t5-/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）:propyl (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
WTN
WTN
表記:(6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
組成式:C20 H25 N5 O4 S
SMILES:O=C(Nc1c2CCCc2cc2CCCc21)NS(=O)(=O)c1cnn2CC(COc12)NC
InChi:InChI=1S/C20H25N5O4S/c1-21-14-10-25-19(29-11-14)17(9-22-25)30(27,28)24-20(26)23-18-15-6-2-4-12(15)8-13-5-3-7-16(13)18/h8-9,14,21H,2-7,10-11H2,1H3,(H2,23,24,26)/t14-/m0/s1
定義日:2022-10-18
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
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
WBQ
WBQ
表記:6-(2-methoxyanilino)-6-oxohexanoic acid
組成式:C13 H17 N O4
SMILES:COc1ccccc1NC(=O)CCCCC(=O)O
InChi:InChI=1S/C13H17NO4/c1-18-11-7-3-2-6-10(11)14-12(15)8-4-5-9-13(16)17/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15)(H,16,17)
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-(2-methoxyanilino)-6-oxohexanoic acid
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
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
WBX
WBX
表記:methyl [4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate
組成式:C10 H15 N3 O2 S
SMILES:O=C(OC)CN1CCN(CC1)c1nccs1
InChi:InChI=1S/C10H15N3O2S/c1-15-9(14)8-12-3-5-13(6-4-12)10-11-2-7-16-10/h2,7H,3-6,8H2,1H3
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 [4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate
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
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
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
WC6
WC6
表記:1-(3-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
組成式:C10 H8 F N3 O
SMILES:O=C(Cn1cncn1)c1cccc(F)c1
InChi:InChI=1S/C10H8FN3O/c11-9-3-1-2-8(4-9)10(15)5-14-7-12-6-13-14/h1-4,6-7H,5H2
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-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
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

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