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18E
18E
表記:7-chloro-10-methyl-11H-benzo[g]pyrido[4,3-b]indol-3-ol
組成式:C16 H11 Cl N2 O
SMILES:Clc4ncc(c3c4c2c(c1ccc(O)cc1cc2)n3)C
InChi:InChI=1S/C16H11ClN2O/c1-8-7-18-16(17)13-12-4-2-9-6-10(20)3-5-11(9)15(12)19-14(8)13/h2-7,19-20H,1H3
定義日:2010-09-21
最終更新日:2011-06-04
識別子（ID）:7-chloro-10-methyl-11H-benzo[g]pyrido[4,3-b]indol-3-ol
199
199
表記:N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE
組成式:C24 H24 N6 O
SMILES:O=C(c1cccnc1)Nc3c2cc(cnc2nc3)c4ccc(cc4)N5CCN(C)CC5
InChi:InChI=1S/C24H24N6O/c1-29-9-11-30(12-10-29)20-6-4-17(5-7-20)19-13-21-22(16-27-23(21)26-15-19)28-24(31)18-3-2-8-25-14-18/h2-8,13-16H,9-12H2,1H3,(H,26,27)(H,28,31)
定義日:2005-07-01
最終更新日:2011-06-04
識別子（ID）:N-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine-3-carboxamide
19E
19E
表記:11-chloro-8-methyl-7H-benzo[e]pyrido[4,3-b]indol-3-ol
組成式:C16 H11 Cl N2 O
SMILES:Clc4ncc(c3c4c1c(ccc2cc(O)ccc12)n3)C
InChi:InChI=1S/C16H11ClN2O/c1-8-7-18-16(17)14-13-11-4-3-10(20)6-9(11)2-5-12(13)19-15(8)14/h2-7,19-20H,1H3
定義日:2010-09-21
最終更新日:2011-06-04
識別子（ID）:11-chloro-8-methyl-7H-benzo[e]pyrido[4,3-b]indol-3-ol
B84
B84
表記:(2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide
組成式:C26 H33 N5 O4 S2
SMILES:O=S(=O)(N1CCN(C)CC1)c2ccc(cc2)C(C(=O)Nc3nc4ccc(nc4s3)OC)CC5CCCC5
InChi:InChI=1S/C26H33N5O4S2/c1-30-13-15-31(16-14-30)37(33,34)20-9-7-19(8-10-20)21(17-18-5-3-4-6-18)24(32)29-26-27-22-11-12-23(35-2)28-25(22)36-26/h7-12,18,21H,3-6,13-17H2,1-2H3,(H,27,29,32)/t21-/m1/s1
定義日:2009-08-14
最終更新日:2011-06-04
識別子（ID）:(2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide
BBQ
BBQ
表記:CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE
組成式:C32 H44 B N4 O9
SMILES:CC(C)(C)[CH](NC(=O)OC1CCCC1)C(=O)N2C[CH](C[CH]2C(=O)N[CH]3CCO[B]34OC[CH](O)CO4)Oc5nccc6ccccc56
InChi:InChI=1S/C32H44BN4O9/c1-32(2,3)27(36-31(41)46-22-9-5-6-10-22)30(40)37-17-23(45-29-24-11-7-4-8-20(24)12-14-34-29)16-25(37)28(39)35-26-13-15-42-33(26)43-18-21(38)19-44-33/h4,7-8,11-12,14,21-23,25-27,38H,5-6,9-10,13,15-19H2,1-3H3,(H,35,39)(H,36,41)/t23-,25+,26+,27-/m1/s1
定義日:2010-04-22
最終更新日:2011-06-04
識別子（ID）:cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-hydroxy-1,6,10-trioxa-5$l^{4}-boraspiro[4.5]decan-4-yl]carbamoyl]-4-isoquinolin-1-yloxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate
1DA
1DA
表記:1-DEAZA-ADENOSINE
組成式:C11 H14 N4 O4
SMILES:n2c1c(N)ccnc1n(c2)C3OC(C(O)C3O)CO
InChi:InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1
定義日:1999-10-08
最終更新日:2011-06-04
識別子（ID）:3-beta-D-ribofuranosyl-3H-imidazo[4,5-b]pyridin-7-amine
LHJ
LHJ
表記:N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide
組成式:C24 H20 F2 N4 O2
SMILES:CN1C(=O)C(=Cc2cnn(c3ccc(F)cc3F)c12)c4cc(ccc4C)C(=O)NC5CC5
InChi:InChI=1S/C24H20F2N4O2/c1-13-3-4-14(22(31)28-17-6-7-17)9-18(13)19-10-15-12-27-30(23(15)29(2)24(19)32)21-8-5-16(25)11-20(21)26/h3-5,8-12,17H,6-7H2,1-2H3,(H,28,31)
定義日:2010-01-29
最終更新日:2011-06-04
識別子（ID）:N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-benzamide
1EL
1EL
表記:9-hydroxy-5,11-dimethyl-4,6-dihydro-1H-pyrido[4,3-b]carbazol-1-one
組成式:C17 H14 N2 O2
SMILES:O=C1N=CCc2c1c(c4c(c2C)nc3ccc(O)cc34)C
InChi:InChI=1S/C17H14N2O2/c1-8-11-5-6-18-17(21)15(11)9(2)14-12-7-10(20)3-4-13(12)19-16(8)14/h3-4,6-7,19-20H,5H2,1-2H3
定義日:2010-09-21
最終更新日:2011-06-04
識別子（ID）:9-hydroxy-5,11-dimethyl-4,6-dihydro-1H-pyrido[4,3-b]carbazol-1-one
BDB
BDB
表記:4,4'-BIPHENYLDIBORONIC ACID
組成式:C12 H12 B2 O4
SMILES:OB(O)c1ccc(cc1)c2ccc(cc2)B(O)O
InChi:InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H
定義日:2001-11-20
最終更新日:2011-06-04
識別子（ID）:biphenyl-4,4'-diyldiboronic acid
1FN
1FN
表記:1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
組成式:C25 H16 F2 N4 O3
SMILES:Fc1ccc(cc1)N2C=CC=C(C2=O)C(=O)Nc5ccc(Oc3ccnc4c3ccn4)c(F)c5
InChi:InChI=1S/C25H16F2N4O3/c26-15-3-6-17(7-4-15)31-13-1-2-19(25(31)33)24(32)30-16-5-8-22(20(27)14-16)34-21-10-12-29-23-18(21)9-11-28-23/h1-14H,(H,28,29)(H,30,32)
定義日:2008-03-03
最終更新日:2011-06-04
識別子（ID）:1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
BE8
BE8
表記:[(1R)-2-cyclobutyl-1-({[(1R,2S,5S)-3-(N-{[(1S)-2,2-dimethyl-1-{[methyl(methylsulfonyl)amino]methyl}propyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-yl]carbonyl}amino)ethyl]boronic acid
組成式:C29 H54 B N5 O7 S
SMILES:O=C(N3C(C(=O)NC(B(O)O)CC1CCC1)C2C(C)(C2C3)C)C(NC(=O)NC(C(C)(C)C)CN(C)S(=O)(=O)C)C(C)(C)C
InChi:InChI=1S/C29H54BN5O7S/c1-27(2,3)19(16-34(9)43(10,41)42)31-26(38)33-23(28(4,5)6)25(37)35-15-18-21(29(18,7)8)22(35)24(36)32-20(30(39)40)14-17-12-11-13-17/h17-23,39-40H,11-16H2,1-10H3,(H,32,36)(H2,31,33,38)/t18-,19+,20-,21-,22-,23+/m0/s1
定義日:2008-11-03
最終更新日:2011-06-04
識別子（ID）:[(1R)-2-cyclobutyl-1-({[(1R,2S,5S)-3-(N-{[(1S)-2,2-dimethyl-1-{[methyl(methylsulfonyl)amino]methyl}propyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-yl]carbonyl}amino)ethyl]boronic acid
LKG
LKG
表記:4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
組成式:C18 H14 N4 O
SMILES:n1c(ccc2nnc(n12)Cc3ccc(O)cc3)c4ccccc4
InChi:InChI=1S/C18H14N4O/c23-15-8-6-13(7-9-15)12-18-20-19-17-11-10-16(21-22(17)18)14-4-2-1-3-5-14/h1-11,23H,12H2
定義日:2008-03-02
最終更新日:2011-06-04
識別子（ID）:4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
BJH
BJH
表記:1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID
組成式:C11 H14 B N O6
SMILES:O=C(O)c1cccc(c1O)CC(B(O)O)NC(=O)C
InChi:InChI=1S/C11H14BNO6/c1-6(14)13-9(12(18)19)5-7-3-2-4-8(10(7)15)11(16)17/h2-4,9,15,18-19H,5H2,1H3,(H,13,14)(H,16,17)/t9-/m0/s1
定義日:2000-04-20
最終更新日:2011-06-04
識別子（ID）:3-[(2R)-2-(acetylamino)-2-(dihydroxyboranyl)ethyl]-2-hydroxybenzoic acid
BJI
BJI
表記:1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID
組成式:C11 H14 B N O5
SMILES:O=C(O)c1cc(ccc1)CC(NC(=O)C)B(O)O
InChi:InChI=1S/C11H14BNO5/c1-7(14)13-10(12(17)18)6-8-3-2-4-9(5-8)11(15)16/h2-5,10,17-18H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
定義日:2000-04-17
最終更新日:2011-06-04
識別子（ID）:3-[(2R)-2-(acetylamino)-2-(dihydroxyboranyl)ethyl]benzoic acid
BJP
BJP
表記:(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID
組成式:C17 H18 B N O5
SMILES:O=C(O)c1cc(ccc1)CC(NC(=O)Cc2ccccc2)B(O)O
InChi:InChI=1S/C17H18BNO5/c20-16(11-12-5-2-1-3-6-12)19-15(18(23)24)10-13-7-4-8-14(9-13)17(21)22/h1-9,15,23-24H,10-11H2,(H,19,20)(H,21,22)/t15-/m0/s1
定義日:2000-04-19
最終更新日:2011-06-04
識別子（ID）:3-{(2R)-2-(dihydroxyboranyl)-2-[(phenylacetyl)amino]ethyl}benzoic acid
1HP
1HP
表記:4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol
組成式:C13 H12 N4 O
SMILES:n1cc(cc2c1nc(n2C)N)c3ccc(O)cc3
InChi:InChI=1S/C13H12N4O/c1-17-11-6-9(7-15-12(11)16-13(17)14)8-2-4-10(18)5-3-8/h2-7,18H,1H3,(H2,14,15,16)
定義日:2007-08-15
最終更新日:2011-06-04
識別子（ID）:4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol
1IT
1IT
表記:DIBENZOFURAN
組成式:C12 H8 O
SMILES:o2c1ccccc1c3c2cccc3
InChi:InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
定義日:2011-04-06
最終更新日:2011-06-04
識別子（ID）:dibenzo[b,d]furan
LXX
LXX
表記:6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
組成式:C20 H13 N5
SMILES:[nH]1ncc2cc(cnc12)c3ccc4nccc(c5ccncc5)c4c3
InChi:InChI=1S/C20H13N5/c1-2-19-18(17(5-8-22-19)13-3-6-21-7-4-13)10-14(1)15-9-16-12-24-25-20(16)23-11-15/h1-12H,(H,23,24,25)
定義日:2010-01-08
最終更新日:2011-06-04
識別子（ID）:6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-yl-quinoline
LYU
LYU
表記:N~6~-(4-methylpentyl)-L-lysine
組成式:C12 H26 N2 O2
SMILES:O=C(O)C(N)CCCCNCCCC(C)C
InChi:InChI=1S/C12H26N2O2/c1-10(2)6-5-9-14-8-4-3-7-11(13)12(15)16/h10-11,14H,3-9,13H2,1-2H3,(H,15,16)/t11-/m0/s1
定義日:2011-03-23
最終更新日:2011-06-04
識別子（ID）:N~6~-(4-methylpentyl)-L-lysine
MB9
MB9
表記:(4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile
組成式:C17 H17 Cl N4 O
SMILES:Clc4ccc3c(n(c2C(=O)NC1(CCNCC1)C(C#N)c23)C)c4
InChi:InChI=1S/C17H17ClN4O/c1-22-13-8-10(18)2-3-11(13)14-12(9-19)17(4-6-20-7-5-17)21-16(23)15(14)22/h2-3,8,12,20H,4-7H2,1H3,(H,21,23)/t12-/m1/s1
定義日:2008-05-01
最終更新日:2011-06-04
識別子（ID）:(4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile
ABH
ABH
表記:2(S)-AMINO-6-BORONOHEXANOIC ACID
組成式:C6 H15 B N O5
SMILES:O=C(O)C(N)CCCC[B-](O)(O)O
InChi:InChI=1S/C6H15BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h5,11-13H,1-4,8H2,(H,9,10)/q-1/t5-/m0/s1
定義日:1999-10-07
最終更新日:2011-06-04
識別子（ID）:[(5S)-5-amino-5-carboxypentyl](trihydroxy)borate(1-)
MFR
MFR
表記:4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
組成式:C12 H11 N5 O
SMILES:n1ccc(OC)c2c1ncc2c3nc(ncc3)N
InChi:InChI=1S/C12H11N5O/c1-18-9-3-5-14-11-10(9)7(6-16-11)8-2-4-15-12(13)17-8/h2-6H,1H3,(H,14,16)(H2,13,15,17)
定義日:2007-12-04
最終更新日:2011-06-04
識別子（ID）:4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
ACW
ACW
表記:D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-B-METHYL-D-CYCLOPROPYLGLYCINE
組成式:C15 H25 N3 O6 S
SMILES:O=C(NC(C(=O)O)C1(C)CC1)C(NC(=O)CCCC(C(=O)O)N)CS
InChi:InChI=1S/C15H25N3O6S/c1-15(5-6-15)11(14(23)24)18-12(20)9(7-25)17-10(19)4-2-3-8(16)13(21)22/h8-9,11,25H,2-7,16H2,1H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/t8-,9-,11-/m0/s1
定義日:2006-06-13
最終更新日:2011-06-04
識別子（ID）:N~6~-[(1R)-2-{[(R)-carboxy(1-methylcyclopropyl)methyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine
MHC
MHC
表記:3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-B-CARBOLIN-2-YL)-PROPAN-1-ONE
組成式:C14 H16 N2 O S
SMILES:O=C(N3CCc2c1ccccc1nc2C3)CCS
InChi:InChI=1S/C14H16N2OS/c17-14(6-8-18)16-7-5-11-10-3-1-2-4-12(10)15-13(11)9-16/h1-4,15,18H,5-9H2
定義日:2002-12-06
最終更新日:2011-06-04
識別子（ID）:3-oxo-3-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)propane-1-thiol
MHR
MHR
表記:4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
組成式:C14 H15 N5 O
SMILES:n1ccc(OCCC)c2c1ncc2c3nc(ncc3)N
InChi:InChI=1S/C14H15N5O/c1-2-7-20-11-4-6-16-13-12(11)9(8-18-13)10-3-5-17-14(15)19-10/h3-6,8H,2,7H2,1H3,(H,16,18)(H2,15,17,19)
定義日:2007-12-04
最終更新日:2011-06-04
識別子（ID）:4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

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