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QNC
QNC
表記:quinoline-2-carboxylic acid
組成式:C10 H7 N O2
SMILES:O=C(O)c1nc2ccccc2cc1
InChi:InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:quinoline-2-carboxylic acid
QNO
QNO
表記:2-NONYL-4-HYDROXYQUINOLINE N-OXIDE
組成式:C18 H25 N O2
SMILES:[O-][n+]2c1ccccc1c(O)cc2CCCCCCCCC
InChi:InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19(15)21/h9-10,12-14,20H,2-8,11H2,1H3
定義日:2003-02-19
最終更新日:2011-06-04
識別子（ID）:2-nonylquinolin-4-ol 1-oxide
QQ3
QQ3
表記:(3R)-3-(4-METHYL-1,3-DIOXO-1,3-DIHYDRO-2H-PYRROLO[3,4-C]QUINOLIN-2-YL)HEXANOIC ACID
組成式:C18 H18 N2 O4
SMILES:O=C(O)CC(N3C(=O)c2c(nc1ccccc1c2C3=O)C)CCC
InChi:InChI=1S/C18H18N2O4/c1-3-6-11(9-14(21)22)20-17(23)15-10(2)19-13-8-5-4-7-12(13)16(15)18(20)24/h4-5,7-8,11H,3,6,9H2,1-2H3,(H,21,22)/t11-/m1/s1
定義日:2009-09-01
最終更新日:2011-06-04
識別子（ID）:(3R)-3-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)hexanoic acid
D94
D94
表記:3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
組成式:C30 H31 N7
SMILES:n2c1cc(ccc1ccc2c3ccccc3)c5nc(n4ccnc(N)c45)C7CC(N6CCN(CC6)C)C7
InChi:InChI=1S/C30H31N7/c1-35-13-15-36(16-14-35)24-17-23(18-24)30-34-27(28-29(31)32-11-12-37(28)30)22-8-7-21-9-10-25(33-26(21)19-22)20-5-3-2-4-6-20/h2-12,19,23-24H,13-18H2,1H3,(H2,31,32)/t23-,24+
定義日:2008-05-27
最終更新日:2011-06-04
識別子（ID）:3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
DA3
DA3
表記:(2S,5',S)-2-AMINO-3-(3-CARBOXY-2-ISOXAZOLIN-5-YL)PROPANOIC ACID
組成式:C7 H10 N2 O5
SMILES:O=C(O)C1=NOC(CC(C(=O)O)N)C1
InChi:InChI=1S/C7H10N2O5/c8-4(6(10)11)1-3-2-5(7(12)13)9-14-3/h3-4H,1-2,8H2,(H,10,11)(H,12,13)/t3-,4-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(5S)-5-[(2S)-2-amino-2-carboxyethyl]-4,5-dihydroisoxazole-3-carboxylic acid
DBW
DBW
表記:4,14-dihydro-8H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-9,10-diol
組成式:C18 H15 N O4
SMILES:Oc1ccc2C=C3N(Cc2c1O)C=CC4=C3CC5=C(C4)OCO5
InChi:InChI=1S/C18H15NO4/c20-15-2-1-10-5-14-12-7-17-16(22-9-23-17)6-11(12)3-4-19(14)8-13(10)18(15)21/h1-5,20-21H,6-9H2
定義日:2009-12-18
最終更新日:2011-06-04
DD1
DD1
表記:5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
組成式:C21 H24 F N5 O
SMILES:Fc1c(cccc1)CN2CCC(CC2)COc4c3c(nc(nc3ccc4)N)N
InChi:InChI=1S/C21H24FN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26)
定義日:2007-12-11
最終更新日:2011-06-04
識別子（ID）:5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
DD2
DD2
表記:5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
組成式:C21 H23 Cl2 N5 O
SMILES:Clc1c(Cl)c(ccc1)CN2CCC(CC2)COc4c3c(nc(nc3ccc4)N)N
InChi:InChI=1S/C21H23Cl2N5O/c22-15-4-1-3-14(19(15)23)11-28-9-7-13(8-10-28)12-29-17-6-2-5-16-18(17)20(24)27-21(25)26-16/h1-6,13H,7-12H2,(H4,24,25,26,27)
定義日:2007-12-11
最終更新日:2011-06-04
識別子（ID）:5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
DD3
DD3
表記:5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
組成式:C16 H15 Cl N4 O
SMILES:Clc1cccc(c1)C(Oc3c2c(nc(nc2N)N)ccc3)C
InChi:InChI=1S/C16H15ClN4O/c1-9(10-4-2-5-11(17)8-10)22-13-7-3-6-12-14(13)15(18)21-16(19)20-12/h2-9H,1H3,(H4,18,19,20,21)/t9-/m0/s1
定義日:2007-12-11
最終更新日:2011-06-04
識別子（ID）:5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
DEH
DEH
表記:2,9-dihydroxy-3,10-dimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium
組成式:C19 H18 N O4
SMILES:Oc4cc3c2cc1ccc(OC)c(O)c1c[n+]2CCc3cc4OC
InChi:InChI=1S/C19H17NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,7-10,21H,5-6H2,1-2H3/p+1
定義日:2009-04-09
最終更新日:2011-06-04
識別子（ID）:2,9-dihydroxy-3,10-dimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium
DF3
DF3
表記:N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
組成式:C28 H24 F3 N3 O4 S
SMILES:FC(F)(F)c1cccc(c1)C(=O)NCCn5c2ccccc2c(SCC(=O)Nc3ccc4OCCOc4c3)c5
InChi:InChI=1S/C28H24F3N3O4S/c29-28(30,31)19-5-3-4-18(14-19)27(36)32-10-11-34-16-25(21-6-1-2-7-22(21)34)39-17-26(35)33-20-8-9-23-24(15-20)38-13-12-37-23/h1-9,14-16H,10-13,17H2,(H,32,36)(H,33,35)
定義日:2009-09-04
最終更新日:2011-06-04
識別子（ID）:N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
DHP
DHP
表記:3-DECYL-2,5-DIOXO-4-HYDROXY-3-PYRROLINE
組成式:C14 H23 N O3
SMILES:O=C1C(=C(O)C(=O)N1)CCCCCCCCCC
InChi:InChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-10-11-12(16)14(18)15-13(11)17/h2-10H2,1H3,(H2,15,16,17,18)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:3-decyl-4-hydroxy-1H-pyrrole-2,5-dione
DHQ
DHQ
表記:3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE
組成式:C10 H11 N O
SMILES:O=C2c1cccc(c1CCN2)C
InChi:InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:5-methyl-3,4-dihydroisoquinolin-1(2H)-one
DI2
DI2
表記:AC-(D)PHE-PRO-BOROLYS-OH
組成式:C21 H33 B N4 O5
SMILES:O=C(NC(B(O)O)CCCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:InChI=1S/C21H33BN4O5/c1-15(27)24-17(14-16-8-3-2-4-9-16)21(29)26-13-7-10-18(26)20(28)25-19(22(30)31)11-5-6-12-23/h2-4,8-9,17-19,30-31H,5-7,10-14,23H2,1H3,(H,24,27)(H,25,28)/t17-,18+,19+/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N-acetyl-D-phenylalanyl-N-[(1R)-5-amino-1-(dihydroxyboranyl)pentyl]-L-prolinamide
DI3
DI3
表記:AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH
組成式:C22 H34 B N5 O5
SMILES:O=C(NC(B(O)O)CCCCC(=[N@H])N)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:InChI=1S/C22H34BN5O5/c1-15(29)26-17(14-16-8-3-2-4-9-16)22(31)28-13-7-10-18(28)21(30)27-19(23(32)33)11-5-6-12-20(24)25/h2-4,8-9,17-19,32-33H,5-7,10-14H2,1H3,(H3,24,25)(H,26,29)(H,27,30)/t17-,18+,19+/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N-acetyl-D-phenylalanyl-N-[(1R,6Z)-6-amino-1-(dihydroxyboranyl)-6-iminohexyl]-L-prolinamide
DI4
DI4
表記:AC-(D)PHE-PRO-BOROHOMOLYS-OH
組成式:C22 H35 B N4 O5
SMILES:O=C(NC(B(O)O)CCCCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:InChI=1S/C22H35BN4O5/c1-16(28)25-18(15-17-9-4-2-5-10-17)22(30)27-14-8-11-19(27)21(29)26-20(23(31)32)12-6-3-7-13-24/h2,4-5,9-10,18-20,31-32H,3,6-8,11-15,24H2,1H3,(H,25,28)(H,26,29)/t18-,19+,20+/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N-acetyl-D-phenylalanyl-N-[(1R)-6-amino-1-(dihydroxyboranyl)hexyl]-L-prolinamide
DI5
DI5
表記:AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH
組成式:C20 H31 B N4 O5
SMILES:O=C(NC(B(O)O)CCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:InChI=1S/C20H31BN4O5/c1-14(26)23-16(13-15-7-3-2-4-8-15)20(28)25-12-6-9-17(25)19(27)24-18(21(29)30)10-5-11-22/h2-4,7-8,16-18,29-30H,5-6,9-13,22H2,1H3,(H,23,26)(H,24,27)/t16-,17+,18+/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N-acetyl-D-phenylalanyl-N-[(1R)-4-amino-1-(dihydroxyboranyl)butyl]-L-prolinamide
DIQ
DIQ
表記:2-METHYL-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
組成式:C11 H19 N O2
SMILES:O=C(O)C2N(CC1CCCCC1C2)C
InChi:InChI=1S/C11H19NO2/c1-12-7-9-5-3-2-4-8(9)6-10(12)11(13)14/h8-10H,2-7H2,1H3,(H,13,14)/t8-,9+,10-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(3S,4aS,8aS)-2-methyldecahydroisoquinoline-3-carboxylic acid
DIT
DIT
表記:DITERCALINIUM
組成式:C46 H50 N6 O2
SMILES:O(c3cc4c2c1c[n+](ccc1ccc2nc4cc3)CCN%10CCC(C9CCN(CC[n+]8cc7c6c5cc(OC)ccc5nc6ccc7cc8)CC9)CC%10)C
InChi:InChI=1S/C46H48N6O2/c1-53-35-5-9-41-37(27-35)45-39-29-51(21-15-33(39)3-7-43(45)47-41)25-23-49-17-11-31(12-18-49)32-13-19-50(20-14-32)24-26-52-22-16-34-4-8-44-46(40(34)30-52)38-28-36(54-2)6-10-42(38)48-44/h3-10,15-16,21-22,27-32H,11-14,17-20,23-26H2,1-2H3/p+2
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:2,2'-(4,4'-bipiperidine-1,1'-diyldiethane-2,1-diyl)bis(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium)
DJK
DJK
表記:N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE
組成式:C17 H13 Br N4 O
SMILES:Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)C=C
InChi:InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
定義日:2006-08-02
最終更新日:2011-06-04
識別子（ID）:N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}prop-2-enamide
DJT
DJT
表記:(2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(4-fluorophenyl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
組成式:C25 H25 Cl F N3 O4 S
SMILES:O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(F)cc3)CC4)C5
InChi:InChI=1S/C25H25ClFN3O4S/c26-19-3-1-2-4-21(19)35(33,34)18-13-20(22(31)29-24(15-28)9-10-24)30(14-18)23(32)25(11-12-25)16-5-7-17(27)8-6-16/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1
定義日:2010-10-15
最終更新日:2011-06-04
識別子（ID）:(4R)-4-[(2-chlorophenyl)sulfonyl]-1-{[1-(4-fluorophenyl)cyclopropyl]carbonyl}-N-{1-[(E)-iminomethyl]cyclopropyl}-L-prolinamide
DK2
DK2
表記:2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID
組成式:C18 H13 N O7
SMILES:O=C(O)C(N2C(=O)c1cc(ccc1C2=O)C(=O)O)Cc3ccc(O)cc3
InChi:InChI=1S/C18H13NO7/c20-11-4-1-9(2-5-11)7-14(18(25)26)19-15(21)12-6-3-10(17(23)24)8-13(12)16(19)22/h1-6,8,14,20H,7H2,(H,23,24)(H,25,26)/t14-/m1/s1
定義日:2007-05-10
最終更新日:2011-06-04
識別子（ID）:2-[(1R)-1-carboxy-2-(4-hydroxyphenyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
DMM
DMM
表記:3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-DOXORUBICIN
組成式:C32 H37 N O13
SMILES:O=C2c1c(O)c6c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)CO)CC6OC5OC(C)C(O)C(N4CCOC(OC)C4)C5
InChi:InChI=1S/C32H37NO13/c1-14-27(36)17(33-7-8-44-22(12-33)43-3)9-21(45-14)46-19-11-32(41,20(35)13-34)10-16-24(19)31(40)26-25(29(16)38)28(37)15-5-4-6-18(42-2)23(15)30(26)39/h4-6,14,17,19,21-22,27,34,36,38,40-41H,7-13H2,1-3H3/t14-,17-,19-,21-,22-,27+,32-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(2S)-2-methoxymorpholin-4-yl]-alpha-L-lyxo-hexopyranoside
QSN
QSN
表記:N-[6-(1H-imidazol-1-yl)-7-nitro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methanesulfonamide
組成式:C12 H10 N6 O6 S
SMILES:[O-][N+](=O)c2c(n1ccnc1)cc3C(=O)N(C(=O)Nc3c2)NS(=O)(=O)C
InChi:InChI=1S/C12H10N6O6S/c1-25(23,24)15-17-11(19)7-4-9(16-3-2-13-6-16)10(18(21)22)5-8(7)14-12(17)20/h2-6,15H,1H3,(H,14,20)
定義日:2011-03-29
最終更新日:2011-06-04
識別子（ID）:N-[6-(1H-imidazol-1-yl)-7-nitro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methanesulfonamide
QUD
QUD
表記:2-AMINO-3-{(1R)-1-CYCLOHEXYL-2-[(CYCLOHEXYLCARBONYL)AMINO]ETHYL}-6-PHENOXYQUINAZOLIN-3-IUM
組成式:C29 H37 N4 O2
SMILES:O=C(NCC([n+]2cc3cc(Oc1ccccc1)ccc3nc2N)C4CCCCC4)C5CCCCC5
InChi:InChI=1S/C29H36N4O2/c30-29-32-26-17-16-25(35-24-14-8-3-9-15-24)18-23(26)20-33(29)27(21-10-4-1-5-11-21)19-31-28(34)22-12-6-2-7-13-22/h3,8-9,14-18,20-22,27,30H,1-2,4-7,10-13,19H2,(H,31,34)/p+1/t27-/m0/s1
定義日:2009-05-28
最終更新日:2011-06-04
識別子（ID）:2-amino-3-{(1R)-1-cyclohexyl-2-[(cyclohexylcarbonyl)amino]ethyl}-6-phenoxyquinazolin-3-ium

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