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VBT
VBT
表記:2,6-bis(chloranyl)-5-fluoranyl-pyridine-3-carboxylic acid
組成式:C6 H2 Cl2 F N O2
SMILES:OC(=O)c1cc(F)c(Cl)nc1Cl
InChi:InChI=1S/C6H2Cl2FNO2/c7-4-2(6(11)12)1-3(9)5(8)10-4/h1H,(H,11,12)
定義日:2021-05-05
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:2,6-bis(chloranyl)-5-fluoranyl-pyridine-3-carboxylic acid
VBW
VBW
表記:6-fluoranyl-2-methyl-quinolin-4-ol
組成式:C10 H8 F N O
SMILES:Cc1cc(O)c2cc(F)ccc2n1
InChi:InChI=1S/C10H8FNO/c1-6-4-10(13)8-5-7(11)2-3-9(8)12-6/h2-5H,1H3,(H,12,13)
定義日:2021-05-05
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:6-fluoranyl-2-methyl-quinolin-4-ol
VBX
VBX
表記:N-methyl-2-{[2-(methylamino)-2-oxoethyl]amino}benzamide
組成式:C11 H15 N3 O2
SMILES:CNC(=O)c1ccccc1NCC(=O)NC
InChi:InChI=1S/C11H15N3O2/c1-12-10(15)7-14-9-6-4-3-5-8(9)11(16)13-2/h3-6,14H,7H2,1-2H3,(H,12,15)(H,13,16)
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-methyl-2-{[2-(methylamino)-2-oxoethyl]amino}benzamide
VCB
VCB
表記:(2~{R})-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]-2-phenyl-ethanoic acid
組成式:C22 H15 N O4
SMILES:OC(=O)[CH](NC(=O)c1cccc2C(=O)c3ccccc3c12)c4ccccc4
InChi:InChI=1S/C22H15NO4/c24-20-15-10-5-4-9-14(15)18-16(20)11-6-12-17(18)21(25)23-19(22(26)27)13-7-2-1-3-8-13/h1-12,19H,(H,23,25)(H,26,27)/t19-/m1/s1
定義日:2021-05-05
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(2~{R})-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]-2-phenyl-ethanoic acid
VCN
VCN
表記:~{N},~{N}-diethyl-9-oxidanylidene-fluorene-4-carboxamide
組成式:C18 H17 N O2
SMILES:CCN(CC)C(=O)c1cccc2C(=O)c3ccccc3c12
InChi:InChI=1S/C18H17NO2/c1-3-19(4-2)18(21)15-11-7-10-14-16(15)12-8-5-6-9-13(12)17(14)20/h5-11H,3-4H2,1-2H3
定義日:2021-05-05
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:~{N},~{N}-diethyl-9-oxidanylidene-fluorene-4-carboxamide
VCO
VCO
表記:ethyl (2Z)-(azepan-2-ylidene)(cyano)acetate
組成式:C11 H16 N2 O2
SMILES:O=C(OCC)C(C#N)=C1CCCCCN1
InChi:InChI=1S/C11H16N2O2/c1-2-15-11(14)9(8-12)10-6-4-3-5-7-13-10/h13H,2-7H2,1H3/b10-9-
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:ethyl (2Z)-(azepan-2-ylidene)(cyano)acetate
VCQ
VCQ
表記:(2~{S})-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid
組成式:C13 H16 O3
SMILES:OC(=O)[C](O)(C1CCCC1)c2ccccc2
InChi:InChI=1S/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)/t13-/m1/s1
定義日:2021-05-05
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(2~{S})-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid
VCT
VCT
表記:~{N},~{N}-dimethyl-9-oxidanylidene-fluorene-4-carboxamide
組成式:C16 H13 N O2
SMILES:CN(C)C(=O)c1cccc2C(=O)c3ccccc3c12
InChi:InChI=1S/C16H13NO2/c1-17(2)16(19)13-9-5-8-12-14(13)10-6-3-4-7-11(10)15(12)18/h3-9H,1-2H3
定義日:2021-05-05
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:~{N},~{N}-dimethyl-9-oxidanylidene-fluorene-4-carboxamide
VCX
VCX
表記:methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate
組成式:C6 H7 Br N2 O2
SMILES:Brc1c(C)[NH]nc1C(=O)OC
InChi:InChI=1S/C6H7BrN2O2/c1-3-4(7)5(9-8-3)6(10)11-2/h1-2H3,(H,8,9)
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 4-bromo-5-methyl-1H-pyrazole-3-carboxylate
VD6
VD6
表記:(2R)-1-benzylpiperidine-2-carboxylic acid
組成式:C13 H17 N O2
SMILES:O=C(O)C1CCCCN1Cc1ccccc1
InChi:InChI=1S/C13H17NO2/c15-13(16)12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)/t12-/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-benzylpiperidine-2-carboxylic acid
VDD
VDD
表記:(2S)-2-[(pyridin-2-yl)sulfanyl]propanoic acid
組成式:C8 H9 N O2 S
SMILES:CC(Sc1ccccn1)C(=O)O
InChi:InChI=1S/C8H9NO2S/c1-6(8(10)11)12-7-4-2-3-5-9-7/h2-6H,1H3,(H,10,11)/t6-/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-[(pyridin-2-yl)sulfanyl]propanoic acid
VDI
VDI
表記:1-(4-chlorophenyl)cyclobutane-1-carboxylic acid
組成式:C11 H11 Cl O2
SMILES:OC(=O)C1(CCC1)c1ccc(Cl)cc1
InChi:InChI=1S/C11H11ClO2/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,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）:1-(4-chlorophenyl)cyclobutane-1-carboxylic acid
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
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
VEL
VEL
表記:[4-(difluoromethoxy)phenyl]methanol
組成式:C8 H8 F2 O2
SMILES:FC(F)Oc1ccc(cc1)CO
InChi:InChI=1S/C8H8F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8,11H,5H2
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-(difluoromethoxy)phenyl]methanol
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
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
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
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
VGU
VGU
表記:N-[(1E)-2-(hydroxyamino)-2-oxoethylidene]benzamide
組成式:C9 H8 N2 O3
SMILES:O=C(/N=C/C(=O)NO)c1ccccc1
InChi:InChI=1S/C9H8N2O3/c12-8(11-14)6-10-9(13)7-4-2-1-3-5-7/h1-6,14H,(H,11,12)/b10-6+
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-[(1E)-2-(hydroxyamino)-2-oxoethylidene]benzamide
VH9
VH9
表記:(1R)-1-(4-fluorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol
組成式:C11 H16 F N O
SMILES:OC(CNC(C)C)c1ccc(F)cc1
InChi:InChI=1S/C11H16FNO/c1-8(2)13-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7H2,1-2H3/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）:(1R)-1-(4-fluorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol
VHO
VHO
表記:N-cyclopropyl-2-(3-fluorophenoxy)acetamide
組成式:C11 H12 F N O2
SMILES:O=C(COc1cccc(F)c1)NC1CC1
InChi:InChI=1S/C11H12FNO2/c12-8-2-1-3-10(6-8)15-7-11(14)13-9-4-5-9/h1-3,6,9H,4-5,7H2,(H,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）:N-cyclopropyl-2-(3-fluorophenoxy)acetamide
VI2
VI2
表記:N-(2-hydroxyethyl)-N'-(3-methylphenyl)thiourea
組成式:C10 H14 N2 O S
SMILES:S=C(Nc1cc(C)ccc1)NCCO
InChi:InChI=1S/C10H14N2OS/c1-8-3-2-4-9(7-8)12-10(14)11-5-6-13/h2-4,7,13H,5-6H2,1H3,(H2,11,12,14)
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-(2-hydroxyethyl)-N'-(3-methylphenyl)thiourea

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件を2024-07-24に公開中

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