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XM0
XM0
表記:INDAN-2-AMINE
組成式:C9 H11 N
SMILES:NC1Cc2ccccc2C1
InChi:InChI=1S/C9H11N/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6,10H2
定義日:2015-03-02
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:2,3-dihydro-1H-inden-2-amine
KWB
KWB
表記:5-cyclohexyl-2-hydroxybenzoate
組成式:C13 H15 O3
SMILES:[O-]C(=O)c1cc(ccc1O)C2CCCCC2
InChi:InChI=1S/C13H16O3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h6-9,14H,1-5H2,(H,15,16)/p-1
定義日:2015-02-12
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:5-cyclohexyl-2-hydroxybenzoate
JRB
JRB
表記:2-PIPERAZIN-1-YL-ANILINE
組成式:C10 H15 N3
SMILES:c1c(c(ccc1)N2CCNCC2)N
InChi:InChI=1S/C10H15N3/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8,11H2
定義日:2014-12-04
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:2-(piperazin-1-yl)aniline
K2T
K2T
表記:6-methyl-1,3-benzothiazol-2-amine
組成式:C8 H8 N2 S
SMILES:n1c2ccc(cc2sc1N)C
InChi:InChI=1S/C8H8N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H2,9,10)
定義日:2015-02-12
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:6-methyl-1,3-benzothiazol-2-amine
LWS
LWS
表記:7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1H-indol-2-one
組成式:C15 H15 F N2 O
SMILES:Cn1cccc1c2cc(F)c3NC(=O)C(C)(C)c3c2
InChi:InChI=1S/C15H15FN2O/c1-15(2)10-7-9(12-5-4-6-18(12)3)8-11(16)13(10)17-14(15)19/h4-8H,1-3H3,(H,17,19)
定義日:2015-03-09
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1H-indol-2-one
2WX
2WX
表記:N-[(R)-1-benzothiophen-2-yl(2-chlorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
組成式:C24 H20 Cl N O4 S2
SMILES:Clc1ccccc1C(c3sc2ccccc2c3)NS(=O)(=O)c5cc4OCCCOc4cc5
InChi:InChI=1S/C24H20ClNO4S2/c25-19-8-3-2-7-18(19)24(23-14-16-6-1-4-9-22(16)31-23)26-32(27,28)17-10-11-20-21(15-17)30-13-5-12-29-20/h1-4,6-11,14-15,24,26H,5,12-13H2/t24-/m1/s1
定義日:2014-03-24
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:N-[(R)-1-benzothiophen-2-yl(2-chlorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
2WY
2WY
表記:N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
組成式:C24 H21 N O5 S
SMILES:O=S(=O)(c2cc1OCCCOc1cc2)NC(c4oc3ccccc3c4)c5ccccc5
InChi:InChI=1S/C24H21NO5S/c26-31(27,19-11-12-21-22(16-19)29-14-6-13-28-21)25-24(17-7-2-1-3-8-17)23-15-18-9-4-5-10-20(18)30-23/h1-5,7-12,15-16,24-25H,6,13-14H2/t24-/m1/s1
定義日:2014-03-24
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
2WZ
2WZ
表記:N-[(R)-(2-amino-5-chloro-3-fluoropyridin-4-yl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide
組成式:C25 H24 Cl F N4 O3 S2
SMILES:Fc1c(ncc(Cl)c1C(c3sc2c(cccc2c3)c4nccc(c4)C(O)(C)C)NS(=O)(=O)C5CC5)N
InChi:InChI=1S/C25H24ClFN4O3S2/c1-25(2,32)14-8-9-29-18(11-14)16-5-3-4-13-10-19(35-23(13)16)22(31-36(33,34)15-6-7-15)20-17(26)12-30-24(28)21(20)27/h3-5,8-12,15,22,31-32H,6-7H2,1-2H3,(H2,28,30)/t22-/m0/s1
定義日:2014-03-24
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:N-[(R)-(2-amino-5-chloro-3-fluoropyridin-4-yl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide
30S
30S
表記:2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
組成式:C15 H14 N4 O4 S
SMILES:O=S(=O)(O)c1ccccc1COc3c2c(nc(nc2N)N)ccc3
InChi:InChI=1S/C15H14N4O4S/c16-14-13-10(18-15(17)19-14)5-3-6-11(13)23-8-9-4-1-2-7-12(9)24(20,21)22/h1-7H,8H2,(H,20,21,22)(H4,16,17,18,19)
定義日:2014-05-14
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
MVJ
MVJ
表記:5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one
組成式:C18 H23 N O2
SMILES:O=C1Nc2ccc(cc2C13CCOCC3)C4CCCCC4
InChi:InChI=1S/C18H23NO2/c20-17-18(8-10-21-11-9-18)15-12-14(6-7-16(15)19-17)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2,(H,19,20)
定義日:2015-03-09
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one
3WB
3WB
表記:(10,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium
組成式:C40 H26 N12 Ru
SMILES:n3c2ccc1nccnc1c2n(cc3)[Ru]9(n5c4c8c(c6nc7c(nc6c4ccc5)cc(cc7C)C)cccn89)nccc(nccn)cccncc
InChi:InChI=1S/C20H14N4.2C10H6N4.Ru/c1-11-9-12(2)16-15(10-11)23-19-13-5-3-7-21-17(13)18-14(20(19)24-16)6-4-8-22-18
定義日:2014-11-25
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:(10,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium
42P
42P
表記:(1R,2S,3R,5R)-3-({5-(1,3-benzothiazol-2-yl)-6-chloro-2-[(3-methoxypropyl)amino]pyrimidin-4-yl}amino)-5-(hydroxymethyl)cyclopentane-1,2-diol
組成式:C21 H26 Cl N5 O4 S
SMILES:Clc4nc(nc(NC1CC(CO)C(O)C1O)c4c2nc3ccccc3s2)NCCCOC
InChi:InChI=1S/C21H26ClN5O4S/c1-31-8-4-7-23-21-26-18(22)15(20-25-12-5-2-3-6-14(12)32-20)19(27-21)24-13-9-11(10-28)16(29)17(13)30/h2-3,5-6,11,13,16-17,28-30H,4,7-10H2,1H3,(H2,23,24,26,27)/t11-,13-,16-,17+/m1/s1
定義日:2015-01-22
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:(1R,2S,3R,5R)-3-({5-(1,3-benzothiazol-2-yl)-6-chloro-2-[(3-methoxypropyl)amino]pyrimidin-4-yl}amino)-5-(hydroxymethyl)cyclopentane-1,2-diol
5DQ
5DQ
表記:N-CYCLOPENTYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE-7-SULFONAMIDE
組成式:C18 H17 F3 N4 O2 S
SMILES:FC(F)(F)c1ccc(cc1)c2[nH]c3c(nccc3[S](=O)(=O)NC4CCCC4)n2
InChi:InChI=1S/C18H17F3N4O2S/c19-18(20,21)12-7-5-11(6-8-12)16-23-15-14(9-10-22-17(15)24-16)28(26,27)25-13-3-1-2-4-13/h5-10,13,25H,1-4H2,(H,22,23,24)
定義日:2015-03-08
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:N-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-sulfonamide
9XZ
9XZ
表記:3-(2-methyltetrazol-5-yl)-5-(3-thienyl)pyridin-2-amine
組成式:C11 H10 N6 S
SMILES:Cn1nnc(n1)c2cc(cnc2N)c3cscc3
InChi:InChI=1S/C11H10N6S/c1-17-15-11(14-16-17)9-4-8(5-13-10(9)12)7-2-3-18-6-7/h2-6H,1H3,(H2,12,13)
定義日:2015-03-08
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:3-(2-methyl-1,2,3,4-tetrazol-5-yl)-5-thiophen-3-yl-pyridin-2-amine
ONR
ONR
表記:4-chloro-2-isoxazol-5-yl-phenol
組成式:C9 H6 Cl N O2
SMILES:Oc1ccc(Cl)cc1c2oncc2
InChi:InChI=1S/C9H6ClNO2/c10-6-1-2-8(12)7(5-6)9-3-4-11-13-9/h1-5,12H
定義日:2015-03-09
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:4-chloranyl-2-(1,2-oxazol-5-yl)phenol
4XH
4XH
表記:5-BROMOQUINOLINE
組成式:C9 H6 Br N
SMILES:Brc1cccc2ncccc12
InChi:InChI=1S/C9H6BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H
定義日:2015-02-12
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:5-bromoquinoline
6N0
6N0
表記:N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoro-piperidine-1-carboxamide
組成式:C18 H16 F2 N2 O3 S
SMILES:FC1(F)CCN(CC1)C(=O)Nc2ccc3c(c2)c4ccccc4[S]3(=O)=O
InChi:InChI=1S/C18H16F2N2O3S/c19-18(20)7-9-22(10-8-18)17(23)21-12-5-6-16-14(11-12)13-3-1-2-4-15(13)26(16,24)25/h1-6,11H,7-10H2,(H,21,23)
定義日:2015-03-03
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:N-[5,5-bis(oxidanylidene)dibenzothiophen-2-yl]-4,4-bis(fluoranyl)piperidine-1-carboxamide
6N4
6N4
表記:2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL
組成式:C9 H10 N2 O S
SMILES:OCCSc1[nH]c2ccccc2n1
InChi:InChI=1S/C9H10N2OS/c12-5-6-13-9-10-7-3-1-2-4-8(7)11-9/h1-4,12H,5-6H2,(H,10,11)
定義日:2015-03-03
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:2-(1H-benzimidazol-2-ylsulfanyl)ethanol
6N6
6N6
表記:5-(2-thienyl)-1,3,4-thiadiazol-2-amine
組成式:C6 H5 N3 S2
SMILES:Nc1sc(nn1)c2sccc2
InChi:InChI=1S/C6H5N3S2/c7-6-9-8-5(11-6)4-2-1-3-10-4/h1-3H,(H2,7,9)
定義日:2015-03-04
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
6N8
6N8
表記:N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1-CARBOXAMIDE
組成式:C20 H20 N2 O
SMILES:O=C(NCCC(c1ccccc1)c2ccccc2)n3cccc3
InChi:InChI=1S/C20H20N2O/c23-20(22-15-7-8-16-22)21-14-13-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-12,15-16,19H,13-14H2,(H,21,23)
定義日:2015-03-03
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:N-(3,3-diphenylpropyl)pyrrole-1-carboxamide
6NF
6NF
表記:N-(CYCLOHEXYLMETHYL)-3-(4-PYRIDYL)-1H-PYRAZOL-5-AMINE
組成式:C15 H20 N4
SMILES:C1CCC(CC1)CNc2cc([nH]n2)c3ccncc3
InChi:InChI=1S/C15H20N4/c1-2-4-12(5-3-1)11-17-15-10-14(18-19-15)13-6-8-16-9-7-13/h6-10,12H,1-5,11H2,(H2,17,18,19)
定義日:2015-03-03
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:N-(cyclohexylmethyl)-5-pyridin-4-yl-1H-pyrazol-3-amine
6NJ
6NJ
表記:3-(2-phenylethyl)-1H-indazole
組成式:C15 H14 N2
SMILES:C(Cc1n[nH]c2ccccc12)c3ccccc3
InChi:InChI=1S/C15H14N2/c1-2-6-12(7-3-1)10-11-15-13-8-4-5-9-14(13)16-17-15/h1-9H,10-11H2,(H,16,17)
定義日:2015-03-05
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:3-(2-phenylethyl)-1H-indazole
6NM
6NM
表記:4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
組成式:C15 H10 F3 N3
SMILES:FC(F)(F)c1cccc(c1)c2[nH]ncc2c3ccncc3
InChi:InChI=1S/C15H10F3N3/c16-15(17,18)12-3-1-2-11(8-12)14-13(9-20-21-14)10-4-6-19-7-5-10/h1-9H,(H,20,21)
定義日:2015-03-03
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
6NZ
6NZ
表記:5-cyclohexyl-3-propyl-1H-pyridin-2-one
組成式:C14 H21 N O
SMILES:CCCC1=CC(=CNC1=O)C2CCCCC2
InChi:InChI=1S/C14H21NO/c1-2-6-12-9-13(10-15-14(12)16)11-7-4-3-5-8-11/h9-11H,2-8H2,1H3,(H,15,16)
定義日:2015-03-09
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:5-cyclohexyl-3-propyl-1H-pyridin-2-one
3J1
3J1
表記:8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one
組成式:C19 H16 N4 O2
SMILES:O=C1c4cccc(c4N=C(N1)c3ccc(c2cn(nc2)C)cc3)CO
InChi:InChI=1S/C19H16N4O2/c1-23-10-15(9-20-23)12-5-7-13(8-6-12)18-21-17-14(11-24)3-2-4-16(17)19(25)22-18/h2-10,24H,11H2,1H3,(H,21,22,25)
定義日:2014-08-21
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one

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