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V7X
V7X
表記:1-[2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine
組成式:C10 H15 N3
SMILES:NCc1cccnc1N1CCCC1
InChi:InChI=1S/C10H15N3/c11-8-9-4-3-5-12-10(9)13-6-1-2-7-13/h3-5H,1-2,6-8,11H2
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-(pyrrolidin-1-yl)pyridin-3-yl]methanamine
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
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
V8T
V8T
表記:(1R)-1-{4-[(propan-2-yl)oxy]phenyl}ethan-1-amine
組成式:C11 H17 N O
SMILES:CC(C)Oc1ccc(cc1)C(C)N
InChi:InChI=1S/C11H17NO/c1-8(2)13-11-6-4-10(5-7-11)9(3)12/h4-9H,12H2,1-3H3/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）:(1R)-1-{4-[(propan-2-yl)oxy]phenyl}ethan-1-amine
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
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
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
V99
V99
表記:3-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine
組成式:C6 H12 N4 S
SMILES:CCSc1nnc(CC)n1N
InChi:InChI=1S/C6H12N4S/c1-3-5-8-9-6(10(5)7)11-4-2/h3-4,7H2,1-2H3
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:3-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine
VNX
VNX
表記:5-cyclopropyl-2H-tetrazole
組成式:C4 H6 N4
SMILES:C1CC1c1n[NH]nn1
InChi:InChI=1S/C4H6N4/c1-2-3(1)4-5-7-8-6-4/h3H,1-2H2,(H,5,6,7,8)
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-cyclopropyl-2H-tetrazole
U2U
U2U
表記:N-{2-[(1-aminoisoquinolin-6-yl)oxy]-4-methylphenyl}-2-methoxybenzene-1-sulfonamide
組成式:C23 H21 N3 O4 S
SMILES:COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1cc2ccnc(N)c2cc1
InChi:InChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25)
定義日:2022-08-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-{2-[(1-aminoisoquinolin-6-yl)oxy]-4-methylphenyl}-2-methoxybenzene-1-sulfonamide
V9I
V9I
表記:ethyl (3S)-3-(methoxycarbamoyl)piperidine-1-carboxylate
組成式:C10 H18 N2 O4
SMILES:CONC(=O)C1CCCN(C1)C(=O)OCC
InChi:InChI=1S/C10H18N2O4/c1-3-16-10(14)12-6-4-5-8(7-12)9(13)11-15-2/h8H,3-7H2,1-2H3,(H,11,13)/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）:ethyl (3S)-3-(methoxycarbamoyl)piperidine-1-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
V9P
V9P
表記:1-(2-chloroethyl)-1H-imidazole
組成式:C5 H7 Cl N2
SMILES:ClCCn1ccnc1
InChi:InChI=1S/C5H7ClN2/c6-1-3-8-4-2-7-5-8/h2,4-5H,1,3H2
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-chloroethyl)-1H-imidazole
VOE
VOE
表記:(2R)-2-phenylbutan-1-amine
組成式:C10 H15 N
SMILES:NCC(CC)c1ccccc1
InChi:InChI=1S/C10H15N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2,8,11H2,1H3/t9-/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）:(2R)-2-phenylbutan-1-amine
V9X
V9X
表記:3-(1H-indol-3-yl)propanamide
組成式:C11 H12 N2 O
SMILES:NC(=O)CCc1c[NH]c2ccccc21
InChi:InChI=1S/C11H12N2O/c12-11(14)6-5-8-7-13-10-4-2-1-3-9(8)10/h1-4,7,13H,5-6H2,(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）:3-(1H-indol-3-yl)propanamide
VOK
VOK
表記:5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione
組成式:C9 H14 N2 O3
SMILES:O=C1NC(=O)N(C)C(=O)C1(CC)CC
InChi:InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione
VOQ
VOQ
表記:N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide
組成式:C11 H19 N3 O2
SMILES:CN(Cc1c(C)onc1C)C(=O)C(C)(C)N
InChi:InChI=1S/C11H19N3O2/c1-7-9(8(2)16-13-7)6-14(5)10(15)11(3,4)12/h6,12H2,1-5H3
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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide
VP0
VP0
表記:[(1S)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid
組成式:C13 H15 N O3
SMILES:O=C(O)CC1c2ccccc2CCN1C(C)=O
InChi:InChI=1S/C13H15NO3/c1-9(15)14-7-6-10-4-2-3-5-11(10)12(14)8-13(16)17/h2-5,12H,6-8H2,1H3,(H,16,17)/t12-/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）:[(1S)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid
VP3
VP3
表記:4-(4-fluorophenyl)-4-oxobutanoic acid
組成式:C10 H9 F O3
SMILES:O=C(CCC(=O)O)c1ccc(F)cc1
InChi:InChI=1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)
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-(4-fluorophenyl)-4-oxobutanoic acid
VPE
VPE
表記:(3S)-3-methyl-5-oxo-5-[(1,3-thiazol-2-yl)amino]pentanoic acid
組成式:C9 H12 N2 O3 S
SMILES:O=C(CC(C)CC(=O)O)Nc1nccs1
InChi:InChI=1S/C9H12N2O3S/c1-6(5-8(13)14)4-7(12)11-9-10-2-3-15-9/h2-3,6H,4-5H2,1H3,(H,13,14)(H,10,11,12)/t6-/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）:(3S)-3-methyl-5-oxo-5-[(1,3-thiazol-2-yl)amino]pentanoic acid
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
VB9
VB9
表記:3-[2-(dimethylamino)ethyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
組成式:C10 H13 N3 O S2
SMILES:CN(C)CCN1C(=O)c2sccc2NC1=S
InChi:InChI=1S/C10H13N3OS2/c1-12(2)4-5-13-9(14)8-7(3-6-16-8)11-10(13)15/h3,6H,4-5H2,1-2H3,(H,11,15)
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:3-[2-(dimethylamino)ethyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
VPW
VPW
表記:4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
組成式:C11 H12 Cl N
SMILES:Clc1ccc(cc1)C1=CCNCC1
InChi:InChI=1S/C11H12ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2
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-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine

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