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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
VI5
VI5
表記:N-(3-fluorophenyl)-N~2~-methylglycinamide
組成式:C9 H11 F N2 O
SMILES:O=C(Nc1cccc(F)c1)CNC
InChi:InChI=1S/C9H11FN2O/c1-11-6-9(13)12-8-4-2-3-7(10)5-8/h2-5,11H,6H2,1H3,(H,12,13)
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-(3-fluorophenyl)-N~2~-methylglycinamide
VI8
VI8
表記:3-{[(pyridin-3-yl)methyl]amino}benzoic acid
組成式:C13 H12 N2 O2
SMILES:O=C(O)c1cc(NCc2cccnc2)ccc1
InChi:InChI=1S/C13H12N2O2/c16-13(17)11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h1-8,15H,9H2,(H,16,17)
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:3-{[(pyridin-3-yl)methyl]amino}benzoic acid
VIE
VIE
表記:2-(aminomethyl)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
組成式:C12 H18 N2
SMILES:CN(C)C1(Cc2ccccc2C1)CN
InChi:InChI=1S/C12H18N2/c1-14(2)12(9-13)7-10-5-3-4-6-11(10)8-12/h3-6H,7-9,13H2,1-2H3
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:2-(aminomethyl)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
VIK
VIK
表記:methyl [(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetate
組成式:C7 H12 O4 S
SMILES:O=S1(=O)CCC(CC(=O)OC)C1
InChi:InChI=1S/C7H12O4S/c1-11-7(8)4-6-2-3-12(9,10)5-6/h6H,2-5H2,1H3/t6-/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）:methyl [(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetate
VIP
VIP
表記:3-[(2S)-2-amino-1-hydroxypropan-2-yl]phenol
組成式:C9 H13 N O2
SMILES:NC(C)(CO)c1cc(O)ccc1
InChi:InChI=1S/C9H13NO2/c1-9(10,6-11)7-3-2-4-8(12)5-7/h2-5,11-12H,6,10H2,1H3/t9-/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）:3-[(2S)-2-amino-1-hydroxypropan-2-yl]phenol
VIX
VIX
表記:(2R)-(4-chlorophenyl)(morpholin-4-yl)acetic acid
組成式:C12 H14 Cl N O3
SMILES:OC(=O)C(N1CCOCC1)c1ccc(Cl)cc1
InChi:InChI=1S/C12H14ClNO3/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14/h1-4,11H,5-8H2,(H,15,16)/t11-/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)-(4-chlorophenyl)(morpholin-4-yl)acetic acid
VJ0
VJ0
表記:(1S)-1-(3-fluoro-4-methoxyphenyl)ethan-1-amine
組成式:C9 H12 F N O
SMILES:Fc1cc(ccc1OC)C(C)N
InChi:InChI=1S/C9H12FNO/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-6H,11H2,1-2H3/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）:(1S)-1-(3-fluoro-4-methoxyphenyl)ethan-1-amine
VJ9
VJ9
表記:ethyl 4-fluoro-3-nitrobenzoate
組成式:C9 H8 F N O4
SMILES:Fc1ccc(cc1N(=O)=O)C(=O)OCC
InChi:InChI=1S/C9H8FNO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:ethyl 4-fluoro-3-nitrobenzoate
VJI
VJI
表記:(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine
組成式:C10 H14 N2 O2
SMILES:NCC(N)c1ccc2OCCOc2c1
InChi:InChI=1S/C10H14N2O2/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5,8H,3-4,6,11-12H2/t8-/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-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine
VJO
VJO
表記:N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
組成式:C9 H11 N O4 S
SMILES:CS(=O)(=O)Nc1ccc2OCCOc2c1
InChi:InChI=1S/C9H11NO4S/c1-15(11,12)10-7-2-3-8-9(6-7)14-5-4-13-8/h2-3,6,10H,4-5H2,1H3
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-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
VJY
VJY
表記:N-[(5-acetylthiophen-2-yl)methyl]acetamide
組成式:C9 H11 N O2 S
SMILES:O=C(C)NCc1ccc(s1)C(C)=O
InChi:InChI=1S/C9H11NO2S/c1-6(11)9-4-3-8(13-9)5-10-7(2)12/h3-4H,5H2,1-2H3,(H,10,12)
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-[(5-acetylthiophen-2-yl)methyl]acetamide
VKF
VKF
表記:4-(difluoromethyl)benzoic acid
組成式:C8 H6 F2 O2
SMILES:FC(F)c1ccc(cc1)C(=O)O
InChi:InChI=1S/C8H6F2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,7H,(H,11,12)
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-(difluoromethyl)benzoic acid
VKO
VKO
表記:1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid
組成式:C13 H15 N O3
SMILES:O=C(O)C1(CC1)C(=O)NCc1ccccc1C
InChi:InChI=1S/C13H15NO3/c1-9-4-2-3-5-10(9)8-14-11(15)13(6-7-13)12(16)17/h2-5H,6-8H2,1H3,(H,14,15)(H,16,17)
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-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid

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件を2024-08-28に公開中

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