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0JQ
0JQ
表記:2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol
組成式:C24 H30 N4 O3
SMILES:n3cc(c1c2cc(OC)c(OC)cc2nnc1)cc(c3N4CCC(CC4)C(O)(C)C)C
InChi:InChI=1S/C24H30N4O3/c1-15-10-16(13-25-23(15)28-8-6-17(7-9-28)24(2,3)29)19-14-26-27-20-12-22(31-5)21(30-4)11-18(19)20/h10-14,17,29H,6-9H2,1-5H3
定義日:2012-01-26
最終更新日:2012-03-16
識別子（ID）:2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol
0L9
0L9
表記:(2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid
組成式:C19 H15 Br Cl N O3
SMILES:O=C(O)C(OC)c1c(c2cc(Br)ccc2nc1C)c3ccc(Cl)cc3
InChi:InChI=1S/C19H15BrClNO3/c1-10-16(18(25-2)19(23)24)17(11-3-6-13(21)7-4-11)14-9-12(20)5-8-15(14)22-10/h3-9,18H,1-2H3,(H,23,24)/t18-/m0/s1
定義日:2012-02-10
最終更新日:2012-03-16
識別子（ID）:(2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid
5AO
5AO
表記:3-(1,3-oxazol-5-yl)aniline
組成式:C9 H8 N2 O
SMILES:n1cc(oc1)c2cc(ccc2)N
InChi:InChI=1S/C9H8N2O/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H,10H2
定義日:2011-04-01
最終更新日:2012-03-16
識別子（ID）:3-(1,3-oxazol-5-yl)aniline
5MZ
5MZ
表記:3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline
組成式:C9 H8 Cl N3 O
SMILES:ClCc1nc(no1)c2cc(ccc2)N
InChi:InChI=1S/C9H8ClN3O/c10-5-8-12-9(13-14-8)6-2-1-3-7(11)4-6/h1-4H,5,11H2
定義日:2011-04-04
最終更新日:2012-03-16
識別子（ID）:3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline
JDC
JDC
表記:(3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
組成式:C28 H39 N3 O3
SMILES:O=C(NC(CN2CCC(c1cccc(O)c1)(C(C2)C)C)C(C)C)C4NCc3cc(O)ccc3C4
InChi:InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
定義日:2012-02-02
最終更新日:2012-03-16
識別子（ID）:(3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Q8A
Q8A
表記:quinolin-8-amine
組成式:C9 H8 N2
SMILES:n1cccc2cccc(N)c12
InChi:InChI=1S/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2
定義日:2011-03-22
最終更新日:2012-03-16
識別子（ID）:quinolin-8-amine
DIW
DIW
表記:1-(3-sulfopropyl)-4-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]quinolinium
組成式:C26 H29 N2 O3 S
SMILES:O=S(=O)(O)CCC[n+]2c1c(cccc1)c(cc2)C=CC=C4N(c3ccccc3C4(C)C)C
InChi:InChI=1S/C26H28N2O3S/c1-26(2)22-12-5-7-14-24(22)27(3)25(26)15-8-10-20-16-18-28(17-9-19-32(29,30)31)23-13-6-4-11-21(20)23/h4-8,10-16,18H,9,17,19H2,1-3H3/p+1
定義日:2011-07-28
最終更新日:2012-03-16
識別子（ID）:1-(3-sulfopropyl)-4-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]quinolinium
YEX
YEX
表記:5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE
組成式:C15 H12 N4 O
SMILES:O=C1N2c4c(C(=CC2=NN1)C)ccc(c3cccn3)c4
InChi:InChI=1S/C15H12N4O/c1-9-7-14-17-18-15(20)19(14)13-8-10(4-5-11(9)13)12-3-2-6-16-12/h2-8,16H,1H3,(H,18,20)
定義日:2011-03-31
最終更新日:2012-03-09
識別子（ID）:5-methyl-8-(1H-pyrrol-2-yl)[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
C4Q
C4Q
表記:4-(1,4,7,10-tetraazacyclododecan-1-ylmethyl)quinoline
組成式:C18 H27 N5
SMILES:n2c1c(cccc1)c(cc2)CN3CCNCCNCCNCC3
InChi:InChI=1S/C18H27N5/c1-2-4-18-17(3-1)16(5-6-22-18)15-23-13-11-20-9-7-19-8-10-21-12-14-23/h1-6,19-21H,7-15H2
定義日:2012-01-24
最終更新日:2012-03-09
識別子（ID）:4-(1,4,7,10-tetraazacyclododecan-1-ylmethyl)quinoline
TQ1
TQ1
表記:5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE
組成式:C15 H12 N4 O2
SMILES:O=C1N2c4c(C(=CC2=NN1)CO)ccc(c3cccn3)c4
InChi:InChI=1S/C15H12N4O2/c20-8-10-7-14-17-18-15(21)19(14)13-6-9(3-4-11(10)13)12-2-1-5-16-12/h1-7,16,20H,8H2,(H,18,21)
定義日:2011-03-30
最終更新日:2012-03-09
識別子（ID）:5-(hydroxymethyl)-8-(1H-pyrrol-2-yl)[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
98P
98P
表記:D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-3-yl)methyl]-L-prolinamide
組成式:C21 H26 Cl N4 O2
SMILES:O=C(NCc1c(Cl)cc[n+](c1)C)C3N(C(=O)C(N)Cc2ccccc2)CCC3
InChi:InChI=1S/C21H25ClN4O2/c1-25-11-9-17(22)16(14-25)13-24-20(27)19-8-5-10-26(19)21(28)18(23)12-15-6-3-2-4-7-15/h2-4,6-7,9,11,14,18-19H,5,8,10,12-13,23H2,1H3/p+1/t18-,19+/m1/s1
定義日:2011-03-18
最終更新日:2012-03-09
識別子（ID）:D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-3-yl)methyl]-L-prolinamide
0JP
0JP
表記:8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline
組成式:C16 H15 N3 O2 S
SMILES:n1cn4c(c1c2scnc2)c3cc(OC)c(OC)cc3CC4
InChi:InChI=1S/C16H15N3O2S/c1-20-12-5-10-3-4-19-8-18-15(14-7-17-9-22-14)16(19)11(10)6-13(12)21-2/h5-9H,3-4H2,1-2H3
定義日:2012-01-25
最終更新日:2012-03-09
識別子（ID）:8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline
02P
02P
表記:D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-2-yl)methyl]-L-prolinamide
組成式:C21 H26 Cl N4 O2
SMILES:O=C(NCc1[n+](ccc(Cl)c1)C)C3N(C(=O)C(N)Cc2ccccc2)CCC3
InChi:InChI=1S/C21H25ClN4O2/c1-25-11-9-16(22)13-17(25)14-24-20(27)19-8-5-10-26(19)21(28)18(23)12-15-6-3-2-4-7-15/h2-4,6-7,9,11,13,18-19H,5,8,10,12,14,23H2,1H3/p+1/t18-,19+/m1/s1
定義日:2011-03-18
最終更新日:2012-03-02
識別子（ID）:D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-2-yl)methyl]-L-prolinamide
BPU
BPU
表記:7-bromopyrrolo[1,2-a]quinoxalin-4(5H)-one
組成式:C11 H7 Br N2 O
SMILES:Brc1cc2c(cc1)n3c(C(=O)N2)ccc3
InChi:InChI=1S/C11H7BrN2O/c12-7-3-4-9-8(6-7)13-11(15)10-2-1-5-14(9)10/h1-6H,(H,13,15)
定義日:2010-09-30
最終更新日:2012-02-27
識別子（ID）:7-bromopyrrolo[1,2-a]quinoxalin-4(5H)-one
KM0
KM0
表記:8-(benzyloxy)-5-chloroquinoline
組成式:C16 H12 Cl N O
SMILES:Clc2ccc(OCc1ccccc1)c3ncccc23
InChi:InChI=1S/C16H12ClNO/c17-14-8-9-15(16-13(14)7-4-10-18-16)19-11-12-5-2-1-3-6-12/h1-10H,11H2
定義日:2010-04-30
最終更新日:2012-02-24
識別子（ID）:8-(benzyloxy)-5-chloroquinoline
KM1
KM1
表記:5-chloro-8-[(3-chlorobenzyl)oxy]quinoline
組成式:C16 H11 Cl2 N O
SMILES:Clc1cccc(c1)COc2ccc(Cl)c3cccnc23
InChi:InChI=1S/C16H11Cl2NO/c17-12-4-1-3-11(9-12)10-20-15-7-6-14(18)13-5-2-8-19-16(13)15/h1-9H,10H2
定義日:2010-04-30
最終更新日:2012-02-24
識別子（ID）:5-chloro-8-[(3-chlorobenzyl)oxy]quinoline
10P
10P
表記:D-phenylalanyl-N-[(1-methylpyridinium-3-yl)methyl]-L-prolinamide
組成式:C21 H27 N4 O2
SMILES:O=C(NCc1ccc[n+](c1)C)C3N(C(=O)C(N)Cc2ccccc2)CCC3
InChi:InChI=1S/C21H26N4O2/c1-24-11-5-9-17(15-24)14-23-20(26)19-10-6-12-25(19)21(27)18(22)13-16-7-3-2-4-8-16/h2-5,7-9,11,15,18-19H,6,10,12-14,22H2,1H3/p+1/t18-,19+/m1/s1
定義日:2011-03-16
最終更新日:2012-02-24
識別子（ID）:D-phenylalanyl-N-[(1-methylpyridinium-3-yl)methyl]-L-prolinamide
K91
K91
表記:4-chloro-2-[(5-chloroquinolin-8-yl)oxy]phenol
組成式:C15 H9 Cl2 N O2
SMILES:Clc3cc(Oc1ccc(Cl)c2cccnc12)c(O)cc3
InChi:InChI=1S/C15H9Cl2NO2/c16-9-3-5-12(19)14(8-9)20-13-6-4-11(17)10-2-1-7-18-15(10)13/h1-8,19H
定義日:2011-05-30
最終更新日:2012-02-24
識別子（ID）:4-chloro-2-[(5-chloroquinolin-8-yl)oxy]phenol
04C
04C
表記:1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol
組成式:C31 H44 N4 O7
SMILES:O=C(NC(C(=O)NC(C(=O)NC(Cc1ccccc1)C(O)C(C)CO)Cc2ccc(OC)cc2)C)CN3CCOCC3
InChi:InChI=1S/C31H44N4O7/c1-21(20-36)29(38)26(17-23-7-5-4-6-8-23)33-31(40)27(18-24-9-11-25(41-3)12-10-24)34-30(39)22(2)32-28(37)19-35-13-15-42-16-14-35/h4-12,21-22,26-27,29,36,38H,13-20H2,1-3H3,(H,32,37)(H,33,40)(H,34,39)/t21-,22+,26+,27+,29+/m1/s1
定義日:2011-12-29
最終更新日:2012-02-24
識別子（ID）:1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol
06P
06P
表記:D-phenylalanyl-N-[(1-methylpyridinium-4-yl)methyl]-L-prolinamide
組成式:C21 H27 N4 O2
SMILES:O=C(NCc1cc[n+](cc1)C)C3N(C(=O)C(N)Cc2ccccc2)CCC3
InChi:InChI=1S/C21H26N4O2/c1-24-12-9-17(10-13-24)15-23-20(26)19-8-5-11-25(19)21(27)18(22)14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,18-19H,5,8,11,14-15,22H2,1H3/p+1/t18-,19+/m1/s1
定義日:2011-03-18
最終更新日:2012-02-24
識別子（ID）:D-phenylalanyl-N-[(1-methylpyridinium-4-yl)methyl]-L-prolinamide
S05
S05
表記:3,4-dihydroquinolin-1(2H)-yl[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone
組成式:C18 H22 N4 O
SMILES:O=C(N2c1ccccc1CCC2)N4CCC(c3cncn3)CC4
InChi:InChI=1S/C18H22N4O/c23-18(22-9-3-5-15-4-1-2-6-17(15)22)21-10-7-14(8-11-21)16-12-19-13-20-16/h1-2,4,6,12-14H,3,5,7-11H2,(H,19,20)
定義日:2011-02-18
最終更新日:2012-02-17
識別子（ID）:3,4-dihydroquinolin-1(2H)-yl[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone
XAX
XAX
表記:{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum
組成式:C10 H13 Mo N5 O8 P S3
SMILES:O=P(O)(O)OCC2OC3NC=4N=C(NC(=O)C=4NC3C=1S[Mo](=O)(=S)(O)SC=12)N
InChi:InChI=1S/C10H14N5O6PS2.Mo.H2O.O.S/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19
定義日:2011-06-06
最終更新日:2012-02-17
識別子（ID）:{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum
03X
03X
表記:N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
組成式:C29 H25 F N4 O5
SMILES:Fc3c(Oc1c2cc(OC)c(OC)cc2ncc1)ccc(c3)NC(=O)C=5C(=O)N(c4ccccc4)N(C=5C)C
InChi:InChI=1S/C29H25FN4O5/c1-17-27(29(36)34(33(17)2)19-8-6-5-7-9-19)28(35)32-18-10-11-24(21(30)14-18)39-23-12-13-31-22-16-26(38-4)25(37-3)15-20(22)23/h5-16H,1-4H3,(H,32,35)
定義日:2011-10-13
最終更新日:2012-02-17
識別子（ID）:N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
044
044
表記:N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
組成式:C30 H27 F N4 O5
SMILES:Fc3c(Oc1c2ccc(OC)cc2ncc1)ccc(c3)NC(=O)C=5C(=O)N(c4ccccc4)N(C=5C)CC(O)C
InChi:InChI=1S/C30H27FN4O5/c1-18(36)17-34-19(2)28(30(38)35(34)21-7-5-4-6-8-21)29(37)33-20-9-12-27(24(31)15-20)40-26-13-14-32-25-16-22(39-3)10-11-23(25)26/h4-16,18,36H,17H2,1-3H3,(H,33,37)/t18-/m1/s1
定義日:2011-10-14
最終更新日:2012-02-17
識別子（ID）:N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
0BR
0BR
表記:(4beta,8alpha,9R)-6'-methoxy-10,11-dihydrocinchonan-9-ol
組成式:C20 H26 N2 O2
SMILES:O(c4cc1c(nccc1C(O)C2N3CCC(C2)C(CC)C3)cc4)C
InChi:InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14+,19-,20+/m0/s1
定義日:2011-11-19
最終更新日:2012-02-10
識別子（ID）:(4beta,8alpha,9R)-6'-methoxy-10,11-dihydrocinchonan-9-ol

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