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GQP
GQP
表記:1-[(4-fluorophenyl)methyl]benzimidazole
組成式:C14 H11 F N2
SMILES:Fc1ccc(Cn2cnc3ccccc23)cc1
InChi:InChI=1S/C14H11FN2/c15-12-7-5-11(6-8-12)9-17-10-16-13-3-1-2-4-14(13)17/h1-8,10H,9H2
定義日:2018-05-31
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:1-[(4-fluorophenyl)methyl]benzimidazole
GRY
GRY
表記:~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
組成式:C12 H14 N4
SMILES:Cc1cc(C)nc(Nc2ccc(N)cc2)n1
InChi:InChI=1S/C12H14N4/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
定義日:2018-06-01
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
GUY
GUY
表記:~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide
組成式:C9 H11 N5 O2
SMILES:CCCn1nnnc1NC(=O)c2occc2
InChi:InChI=1S/C9H11N5O2/c1-2-5-14-9(11-12-13-14)10-8(15)7-4-3-6-16-7/h3-4,6H,2,5H2,1H3,(H,10,11,13,15)
定義日:2018-06-01
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide
GV1
GV1
表記:~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine
組成式:C10 H13 N3 S
SMILES:CN(C)c1ncnc2sc(C)c(C)c12
InChi:InChI=1S/C10H13N3S/c1-6-7(2)14-10-8(6)9(13(3)4)11-5-12-10/h5H,1-4H3
定義日:2018-06-01
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine
GW1
GW1
表記:(4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone
組成式:C10 H14 Cl N3 O
SMILES:Cn1ncc(Cl)c1C(=O)N2CCCCC2
InChi:InChI=1S/C10H14ClN3O/c1-13-9(8(11)7-12-13)10(15)14-5-3-2-4-6-14/h7H,2-6H2,1H3
定義日:2018-06-01
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:(4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone
H5A
H5A
表記:3,4,5-trimethoxybenzoic acid
組成式:C10 H12 O5
SMILES:c1(C(=O)O)cc(c(c(OC)c1)OC)OC
InChi:InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
定義日:2018-06-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:3,4,5-trimethoxybenzoic acid
N19
N19
表記:4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
組成式:C18 H21 N3 O3 S
SMILES:N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN[CH](C2)Cc3ccccc3
InChi:InChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-15(7-9-17)18(22)21-11-10-20-16(13-21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1
定義日:2017-11-07
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
OPV
OPV
表記:~{N}-[(4~{S},5~{S})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide
組成式:C16 H18 N4 O5
SMILES:C[CH]1ON(CCc2c[nH]cn2)C(=O)[CH]1NC(=O)c3cccc(O)c3O
InChi:InChI=1S/C16H18N4O5/c1-9-13(19-15(23)11-3-2-4-12(21)14(11)22)16(24)20(25-9)6-5-10-7-17-8-18-10/h2-4,7-9,13,21-22H,5-6H2,1H3,(H,17,18)(H,19,23)/t9-,13-/m0/s1
定義日:2018-07-31
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:~{N}-[(4~{S},5~{S})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide
OPZ
OPZ
表記:~{N}-[(4~{S},5~{R})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide
組成式:C16 H18 N4 O5
SMILES:C[CH]1ON(CCc2c[nH]cn2)C(=O)[CH]1NC(=O)c3cccc(O)c3O
InChi:InChI=1S/C16H18N4O5/c1-9-13(19-15(23)11-3-2-4-12(21)14(11)22)16(24)20(25-9)6-5-10-7-17-8-18-10/h2-4,7-9,13,21-22H,5-6H2,1H3,(H,17,18)(H,19,23)/t9-,13+/m1/s1
定義日:2018-07-31
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:~{N}-[(4~{S},5~{R})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide
5C5
5C5
表記:(2R)-2-azanyl-3-[[2-(4-methoxyphenyl)-2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaenyl]sulfanyl]propanoic acid
組成式:C25 H25 N O3 S
SMILES:COc1ccc(cc1)[C]2(SC[CH](N)C(O)=O)c3ccccc3CCc4ccccc24
InChi:InChI=1S/C25H25NO3S/c1-29-20-14-12-19(13-15-20)25(30-16-23(26)24(27)28)21-8-4-2-6-17(21)10-11-18-7-3-5-9-22(18)25/h2-9,12-15,23H,10-11,16,26H2,1H3,(H,27,28)/t23-/m0/s1
定義日:2018-04-19
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:(2~{R})-2-azanyl-3-[[2-(4-methoxyphenyl)-2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaenyl]sulfanyl]propanoic acid
JHJ
JHJ
表記:N-(4-methoxyphenyl)-N'-pyridin-4-ylurea
組成式:C13 H13 N3 O2
SMILES:C(=O)(Nc1ccncc1)Nc2ccc(cc2)OC
InChi:InChI=1S/C13H13N3O2/c1-18-12-4-2-10(3-5-12)15-13(17)16-11-6-8-14-9-7-11/h2-9H,1H3,(H2,14,15,16,17)
定義日:2018-09-10
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:N-(4-methoxyphenyl)-N'-pyridin-4-ylurea
JHP
JHP
表記:4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide
組成式:C10 H14 Cl N3 O
SMILES:C2(NC(c1c(cn(C)n1)Cl)=O)CCCC2
InChi:InChI=1S/C10H14ClN3O/c1-14-6-8(11)9(13-14)10(15)12-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,15)
定義日:2018-09-10
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide
JHV
JHV
表記:4-chloro-N~1~-(pyridin-4-yl)benzene-1,2-diamine
組成式:C11 H10 Cl N3
SMILES:c1(ccncc1)Nc2ccc(cc2N)Cl
InChi:InChI=1S/C11H10ClN3/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-7H,13H2,(H,14,15)
定義日:2018-09-10
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:4-chloro-N~1~-(pyridin-4-yl)benzene-1,2-diamine
JJ4
JJ4
表記:3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
組成式:C12 H18 N2 O S
SMILES:C(C(Nc1ncc(C)s1)=O)CC2CCCC2
InChi:InChI=1S/C12H18N2OS/c1-9-8-13-12(16-9)14-11(15)7-6-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,13,14,15)
定義日:2018-09-10
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
JJ7
JJ7
表記:1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one
組成式:C10 H20 N2 O2
SMILES:CC(N1CCC(CC1)NCCOC)=O
InChi:InChI=1S/C10H20N2O2/c1-9(13)12-6-3-10(4-7-12)11-5-8-14-2/h10-11H,3-8H2,1-2H3
定義日:2018-09-10
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one
JJG
JJG
表記:4-[2-(phenylsulfanyl)ethyl]morpholine
組成式:C12 H17 N O S
SMILES:C1COCCN1CCSc2ccccc2
InChi:InChI=1S/C12H17NOS/c1-2-4-12(5-3-1)15-11-8-13-6-9-14-10-7-13/h1-5H,6-11H2
定義日:2018-09-10
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:4-[2-(phenylsulfanyl)ethyl]morpholine
JJM
JJM
表記:1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
組成式:C13 H13 N5
SMILES:c32c(Nc1cccc(C)c1)ncnc2n(nc3)C
InChi:InChI=1S/C13H13N5/c1-9-4-3-5-10(6-9)17-12-11-7-16-18(2)13(11)15-8-14-12/h3-8H,1-2H3,(H,14,15,17)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
JJY
JJY
表記:3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione
組成式:C13 H13 N O2
SMILES:C2CC(c3cc1C(=O)CCCc1nc3C2)=O
InChi:InChI=1S/C13H13NO2/c15-12-5-1-3-10-8(12)7-9-11(14-10)4-2-6-13(9)16/h7H,1-6H2
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione
JK7
JK7
表記:N-[(1S,2S,3S,4R)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide
組成式:C15 H17 N O3
SMILES:C4C(C(NC1C(C2c3ccccc3C1O2)O)=O)CC4
InChi:InChI=1S/C15H17NO3/c17-12-11(16-15(18)8-4-3-5-8)13-9-6-1-2-7-10(9)14(12)19-13/h1-2,6-8,11-14,17H,3-5H2,(H,16,18)/t11-,12-,13-,14+/m0/s1
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:N-[(1S,2S,3S,4R)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide
JKA
JKA
表記:(1S,4R,5S,6R)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol
組成式:C9 H17 N O4 S
SMILES:C1C2C(CN(S(C)(=O)=O)C1CCC2O)O
InChi:InChI=1S/C9H17NO4S/c1-15(13,14)10-5-9(12)7-4-6(10)2-3-8(7)11/h6-9,11-12H,2-5H2,1H3/t6-,7-,8+,9-/m0/s1
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:(1S,4R,5S,6R)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol
JKG
JKG
表記:4-({[(thiophen-2-yl)methyl]amino}methyl)phenol
組成式:C12 H13 N O S
SMILES:c2c(CNCc1cccs1)ccc(c2)O
InChi:InChI=1S/C12H13NOS/c14-11-5-3-10(4-6-11)8-13-9-12-2-1-7-15-12/h1-7,13-14H,8-9H2
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:4-({[(thiophen-2-yl)methyl]amino}methyl)phenol
JKJ
JKJ
表記:(1R,3R,4S)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol
組成式:C10 H19 N O4 S
SMILES:COCC1C2(CCC(N1S(=O)(C)=O)CC2)O
InChi:InChI=1S/C10H19NO4S/c1-15-7-9-10(12)5-3-8(4-6-10)11(9)16(2,13)14/h8-9,12H,3-7H2,1-2H3/t8-,9-,10-/m1/s1
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:(1R,3R,4S)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol
JKP
JKP
表記:2,6-dichloropyridine-4-carboxylic acid
組成式:C6 H3 Cl2 N O2
SMILES:OC(c1cc(nc(c1)Cl)Cl)=O
InChi:InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:2,6-dichloropyridine-4-carboxylic acid
JKS
JKS
表記:5-(pyrrolidin-1-yl)pyridine-2-carbonitrile
組成式:C10 H11 N3
SMILES:C1CCCN1c2ccc(C#N)nc2
InChi:InChI=1S/C10H11N3/c11-7-9-3-4-10(8-12-9)13-5-1-2-6-13/h3-4,8H,1-2,5-6H2
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:5-(pyrrolidin-1-yl)pyridine-2-carbonitrile
JKV
JKV
表記:3-(4-chlorophenyl)-1H-pyrazol-5-amine
組成式:C9 H8 Cl N3
SMILES:c1(Cl)ccc(cc1)c2cc(N)nn2
InChi:InChI=1S/C9H8ClN3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:3-(4-chlorophenyl)-1H-pyrazol-5-amine

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