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VR6
VR6
表記:N-[(furan-2-yl)methyl]-2-[(pyridin-2-yl)oxy]ethan-1-amine
組成式:C12 H14 N2 O2
SMILES:C(CNCc1ccco1)Oc1ccccn1
InChi:InChI=1S/C12H14N2O2/c1-2-6-14-12(5-1)16-9-7-13-10-11-4-3-8-15-11/h1-6,8,13H,7,9-10H2
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-[(furan-2-yl)methyl]-2-[(pyridin-2-yl)oxy]ethan-1-amine
UWR
UWR
表記:(2R)-amino(3-chlorophenyl)acetonitrile
組成式:C8 H7 Cl N2
SMILES:NC(C#N)c1cc(Cl)ccc1
InChi:InChI=1S/C8H7ClN2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8H,11H2/t8-/m0/s1
定義日:2022-08-26
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(2R)-amino(3-chlorophenyl)acetonitrile
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
W6H
W6H
表記:methyl N-methyl-N-[(2E)-3-(thiophen-3-yl)prop-2-enoyl]glycinate
組成式:C11 H13 N O3 S
SMILES:O=C(/C=C/c1ccsc1)N(C)CC(=O)OC
InChi:InChI=1S/C11H13NO3S/c1-12(7-11(14)15-2)10(13)4-3-9-5-6-16-8-9/h3-6,8H,7H2,1-2H3/b4-3+
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-methyl-N-[(2E)-3-(thiophen-3-yl)prop-2-enoyl]glycinate
VRC
VRC
表記:(4S)-2-(aminomethyl)-4-nitrocyclohexa-2,5-dien-1-one
組成式:C7 H8 N2 O3
SMILES:O=N(=O)C1C=CC(=O)C(CN)=C1
InChi:InChI=1S/C7H8N2O3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,6H,4,8H2
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(4S)-2-(aminomethyl)-4-nitrocyclohexa-2,5-dien-1-one
W6L
W6L
表記:(3R)-3-amino-3-phenylpropanenitrile
組成式:C9 H10 N2
SMILES:NC(CC#N)c1ccccc1
InChi:InChI=1S/C9H10N2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9H,6,11H2/t9-/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）:(3R)-3-amino-3-phenylpropanenitrile
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
VRH
VRH
表記:N-methoxy-2-(2-methoxy-4-methylphenoxy)acetamide
組成式:C11 H15 N O4
SMILES:COc1cc(C)ccc1OCC(=O)NOC
InChi:InChI=1S/C11H15NO4/c1-8-4-5-9(10(6-8)14-2)16-7-11(13)12-15-3/h4-6H,7H2,1-3H3,(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）:N-methoxy-2-(2-methoxy-4-methylphenoxy)acetamide
W6R
W6R
表記:N-[(thiophen-2-yl)methyl]butanamide
組成式:C9 H13 N O S
SMILES:O=C(NCc1cccs1)CCC
InChi:InChI=1S/C9H13NOS/c1-2-4-9(11)10-7-8-5-3-6-12-8/h3,5-6H,2,4,7H2,1H3,(H,10,11)
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-[(thiophen-2-yl)methyl]butanamide
VRL
VRL
表記:methyl (1R)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
組成式:C11 H13 N O3
SMILES:O=C(OC)C1NCCc2cc(O)ccc12
InChi:InChI=1S/C11H13NO3/c1-15-11(14)10-9-3-2-8(13)6-7(9)4-5-12-10/h2-3,6,10,12-13H,4-5H2,1H3/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）:methyl (1R)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
W6W
W6W
表記:N~3~-[(2-bromophenyl)methyl]-N~3~-methyl-beta-alaninamide
組成式:C11 H15 Br N2 O
SMILES:Brc1ccccc1CN(C)CCC(N)=O
InChi:InChI=1S/C11H15BrN2O/c1-14(7-6-11(13)15)8-9-4-2-3-5-10(9)12/h2-5H,6-8H2,1H3,(H2,13,15)
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~3~-[(2-bromophenyl)methyl]-N~3~-methyl-beta-alaninamide
UXB
UXB
表記:(3S)-3-amino-3-(3-chlorophenyl)propan-1-ol
組成式:C9 H12 Cl N O
SMILES:NC(CCO)c1cc(Cl)ccc1
InChi:InChI=1S/C9H12ClNO/c10-8-3-1-2-7(6-8)9(11)4-5-12/h1-3,6,9,12H,4-5,11H2/t9-/m0/s1
定義日:2022-08-26
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(3S)-3-amino-3-(3-chlorophenyl)propan-1-ol
VRR
VRR
表記:ethyl N-benzyl-beta-alaninate
組成式:C12 H17 N O2
SMILES:O=C(OCC)CCNCc1ccccc1
InChi:InChI=1S/C12H17NO2/c1-2-15-12(14)8-9-13-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:ethyl N-benzyl-beta-alaninate
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
VRY
VRY
表記:1-[(2-chloro-4-methoxyphenyl)methyl]-1H-1,2,4-triazole
組成式:C10 H10 Cl N3 O
SMILES:COc1cc(Cl)c(Cn2cncn2)cc1
InChi:InChI=1S/C10H10ClN3O/c1-15-9-3-2-8(10(11)4-9)5-14-7-12-6-13-14/h2-4,6-7H,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）:1-[(2-chloro-4-methoxyphenyl)methyl]-1H-1,2,4-triazole
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
VS7
VS7
表記:(2R)-1-(1H-indol-3-yl)propan-2-amine
組成式:C11 H14 N2
SMILES:CC(N)Cc1c[NH]c2ccccc21
InChi:InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3/t8-/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）:(2R)-1-(1H-indol-3-yl)propan-2-amine
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
W7T
W7T
表記:N-(2-aminoethyl)-2-cyclohexylacetamide
組成式:C10 H20 N2 O
SMILES:O=C(CC1CCCCC1)NCCN
InChi:InChI=1S/C10H20N2O/c11-6-7-12-10(13)8-9-4-2-1-3-5-9/h9H,1-8,11H2,(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）:N-(2-aminoethyl)-2-cyclohexylacetamide
W7X
W7X
表記:1-(6-methylpyridin-2-yl)-1,4-diazepane
組成式:C11 H17 N3
SMILES:Cc1nc(ccc1)N1CCCNCC1
InChi:InChI=1S/C11H17N3/c1-10-4-2-5-11(13-10)14-8-3-6-12-7-9-14/h2,4-5,12H,3,6-9H2,1H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:1-(6-methylpyridin-2-yl)-1,4-diazepane

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件を2024-09-11に公開中

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