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25Q
25Q
Name:2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Formula:C18 H15 N5 O2
SMILES:O=C(c2c1nc4ccccc4nc1n(c2N)c3cccc(OC)c3)N
InChi:InChI=1S/C18H15N5O2/c1-25-11-6-4-5-10(9-11)23-16(19)14(17(20)24)15-18(23)22-13-8-3-2-7-12(13)21-15/h2-9H,19H2,1H3,(H2,20,24)
Definition date:2014-03-14
Last modified:2014-09-05
Release date:2014-08-13
Identifier:2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
27F
27F
Name:4-(4-OXO-1,4-DIHYDROQUINAZOLIN-2-YL)BENZONITRILE
Formula:C15 H9 N3 O
SMILES:N#Cc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3
InChi:InChI=1S/C15H9N3O/c16-9-10-5-7-11(8-6-10)14-17-13-4-2-1-3-12(13)15(19)18-14/h1-8H,(H,17,18,19)
Definition date:2013-06-20
Last modified:2014-09-05
Release date:2013-10-30
Identifier:4-(4-oxo-3,4-dihydroquinazolin-2-yl)benzonitrile
27X
27X
Name:AMMOSAMIDE 272
Formula:C13 H12 N4 O3
SMILES:O=C(OC)c2nc1c(cc(N)c3c1c(c2)C(=O)N3C)N
InChi:InChI=1S/C13H12N4O3/c1-17-11-7(15)4-6(14)10-9(11)5(12(17)18)3-8(16-10)13(19)20-2/h3-4H,14-15H2,1-2H3
Definition date:2012-01-05
Last modified:2014-09-05
Release date:2013-01-11
Identifier:methyl 6,8-diamino-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxylate
F9J
F9J
Name:5-FLUORO-4-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHOXY]-N-(5-METHYL-1H-PYRAZOL-3-YL)-6-MORPHOLINO-PYRIMIDIN-2-AMINE
Formula:C18 H20 F2 N8 O2
SMILES:Fc1cnc(nc1)C(Oc3nc(nc(N2CCOCC2)c3F)Nc4cc(nn4)C)C
InChi:InChI=1S/C18H20F2N8O2/c1-10-7-13(27-26-10)23-18-24-16(28-3-5-29-6-4-28)14(20)17(25-18)30-11(2)15-21-8-12(19)9-22-15/h7-9,11H,3-6H2,1-2H3,(H2,23,24,25,26,27)/t11-/m0/s1
Definition date:2013-02-11
Last modified:2014-09-05
Release date:2013-04-17
Identifier:5-fluoro-4-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(3-methyl-1H-pyrazol-5-yl)-6-(morpholin-4-yl)pyrimidin-2-amine
F9K
F9K
Name:(1'R,2R,2'S,6S,24AS)-17-FLUORO-6-(1-METHYL-2-OXOPIPERIDINE-3-CARBOXAMIDO)-19,19-DIOXIDO-5,21,24-TRIOXO-2'-VINYL-1,2,3,5,6,7,8,9,10,11,12,13,14,20,21,23,24,24A-OCTADECAHYDROSPIRO[BENZO[S]PYRROLO[2,1-G][1,2,5,8,18]THIATETRAAZACYCLOICOSINE-22,1'-CYCLOPRO-2-CARBOXYLATEPAN]-2-YL 4-FLUOROISOINDOLINE
Formula:C42 H51 F2 N7 O9 S
SMILES:O=C1N(C)CCCC1C(=O)NC5C(=O)N4CC(OC(=O)N3Cc2cccc(F)c2C3)CC4C(=O)NC7(C(=O)NS(=O)(=O)c6cc(F)ccc6NCCCCCCC5)CC7C=C
InChi:InChI=1S/C42H51F2N7O9S/c1-3-26-21-42(26)40(56)48-61(58,59)35-19-27(43)15-16-32(35)45-17-8-6-4-5-7-14-33(46-36(52)29-12-10-18-49(2)38(29)54)39(55)51-23-28(20-34(51)37(53)47-42)60-41(57)50-22-25-11-9-13-31(44)30(25)24-50/h3,9,11,13,15-16,19,26,28-29,33-34,45H,1,4-8,10,12,14,17-18,20-24H2,2H3,(H,46,52)(H,47,53)(H,48,56)/t26-,28-,29+,33+,34+,42-/m1/s1
Definition date:2011-11-23
Last modified:2014-09-05
Identifier:(1R,2S,2'R,6'S,24a'S)-2-ethenyl-17'-fluoro-6'-({[(3S)-1-methyl-2-oxopiperidin-3-yl]carbonyl}amino)-19',19'-dioxido-5',21',24'-trioxo-1',2',3',5',6',7',8',9',10',11',12',13',14',20',21',23',24',24a'-octadecahydrospiro[cyclopropane-1,22'-pyrrolo[2,1-g][1,2,5,8,18]benzothiatetraazacycloicosin]-2'-yl 4-fluoro-1,3-dihydro-2H-isoindole-2-carboxylate
8Y6
8Y6
Name:4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
Formula:C25 H14 F2 N4 O5
SMILES:O=C1c2cc(c(F)cc2N=CN1)Cn4c(c(c5c3occc3c(F)cc45)C6=CC=CNC6=O)C(=O)O
InChi:InChI=1S/C25H14F2N4O5/c26-15-7-17-14(24(33)30-10-29-17)6-11(15)9-31-18-8-16(27)12-3-5-36-22(12)20(18)19(21(31)25(34)35)13-2-1-4-28-23(13)32/h1-8,10H,9H2,(H,28,32)(H,34,35)(H,29,30,33)
Definition date:2012-10-24
Last modified:2014-09-05
Release date:2013-10-09
Identifier:4-fluoro-6-[(7-fluoro-4-oxo-3,4-dihydroquinazolin-6-yl)methyl]-8-(2-oxo-1,2-dihydropyridin-3-yl)-6H-furo[2,3-e]indole-7-carboxylic acid
91F
91F
Name:2-(4-methylsulfanylphenyl)-3H-quinazolin-4-one
Formula:C15 H12 N2 O S
SMILES:O=C2c3ccccc3N=C(c1ccc(SC)cc1)N2
InChi:InChI=1S/C15H12N2OS/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
Definition date:2013-06-20
Last modified:2014-09-05
Release date:2013-10-30
Identifier:2-[4-(methylsulfanyl)phenyl]quinazolin-4(3H)-one
CWS
CWS
Name:6-METHYLQUINAZOLIN-4-AMINE
Formula:C9 H9 N3
SMILES:n2c1c(cc(cc1)C)c(nc2)N
InChi:InChI=1S/C9H9N3/c1-6-2-3-8-7(4-6)9(10)12-5-11-8/h2-5H,1H3,(H2,10,11,12)
Definition date:2012-10-05
Last modified:2014-09-05
Release date:2013-06-26
Identifier:6-methylquinazolin-4-amine
E41
E41
Name:N-hydroxy-N^2^-(3-methylbutyl)-N^2^-(naphthalen-2-ylsulfonyl)-D-valinamide
Formula:C20 H28 N2 O4 S
SMILES:O=C(NO)C(N(CCC(C)C)S(=O)(=O)c2ccc1c(cccc1)c2)C(C)C
InChi:InChI=1S/C20H28N2O4S/c1-14(2)11-12-22(19(15(3)4)20(23)21-24)27(25,26)18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13-15,19,24H,11-12H2,1-4H3,(H,21,23)/t19-/m1/s1
Definition date:2011-08-10
Last modified:2014-09-05
Identifier:N-hydroxy-N~2~-(3-methylbutyl)-N~2~-(naphthalen-2-ylsulfonyl)-D-valinamide
G18
G18
Name:4H-thieno[2,3-c]isoquinolin-5-one
Formula:C11 H7 N O S
SMILES:O=C2c3c(c1c(scc1)N2)cccc3
InChi:InChI=1S/C11H7NOS/c13-10-8-4-2-1-3-7(8)9-5-6-14-11(9)12-10/h1-6H,(H,12,13)
Definition date:2012-05-29
Last modified:2014-09-05
Identifier:thieno[2,3-c]isoquinolin-5(4H)-one
G7X
G7X
Name:ISPINESIB MESILATE
Formula:C30 H33 Cl N4 O2
SMILES:O=C(c1ccc(cc1)C)N(CCCN)C(C3=Nc2c(ccc(Cl)c2)C(=O)N3Cc4ccccc4)C(C)C
InChi:InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1
Definition date:2011-10-29
Last modified:2014-09-05
Release date:2012-09-21
Identifier:N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
DQ6
DQ6
Name:(2S)-2-AMINO-5-(3-METHYLPHENYL)-5,5-DIPHENYLPROPANOIC ACID
Formula:C24 H25 N O2
SMILES:O=C(O)C(N)CCC(c1ccccc1)(c2ccccc2)c3cccc(c3)C
InChi:InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m0/s1
Definition date:2011-10-24
Last modified:2014-09-05
Release date:2012-10-26
Identifier:5-(3-methylphenyl)-5,5-diphenyl-L-norvaline
DQ7
DQ7
Name:(2R)-2-AMINO-5-(3-METHYLPHENYL)-5,5-DIPHENYLPROPANOIC ACID
Formula:C24 H25 N O2
SMILES:O=C(O)C(N)CCC(c1ccccc1)(c2ccccc2)c3cccc(c3)C
InChi:InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m1/s1
Definition date:2011-10-24
Last modified:2014-09-05
Release date:2012-10-26
Identifier:5-(3-methylphenyl)-5,5-diphenyl-D-norvaline
8HQ
8HQ
Name:8-hydroxyquinoline-4-carboxylic acid
Formula:C10 H7 N O3
SMILES:O=C(O)c1c2cccc(O)c2ncc1
InChi:InChI=1S/C10H7NO3/c12-8-3-1-2-6-7(10(13)14)4-5-11-9(6)8/h1-5,12H,(H,13,14)
Definition date:2013-04-12
Last modified:2014-09-05
Release date:2014-02-05
Identifier:8-hydroxyquinoline-4-carboxylic acid
8PW
8PW
Name:(2S,4R)-N-(1-cyanocyclopropyl)-1-(1-methylcyclopropanecarbonyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
Formula:C23 H25 F6 N3 O5 S
SMILES:O=S(=O)(c1ccc(OCC(F)(F)F)cc1C(F)(F)F)C4CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C3(C)CC3)C4
InChi:InChI=1S/C23H25F6N3O5S/c1-20(4-5-20)19(34)32-10-14(9-16(32)18(33)31-21(11-30)6-7-21)38(35,36)17-3-2-13(37-12-22(24,25)26)8-15(17)23(27,28)29/h2-3,8,11,14,16,30H,4-7,9-10,12H2,1H3,(H,31,33)/b30-11+/t14-,16+/m1/s1
Definition date:2013-06-03
Last modified:2014-09-05
Release date:2014-06-18
Identifier:(4R)-N-{1-[(E)-iminomethyl]cyclopropyl}-1-[(1-methylcyclopropyl)carbonyl]-4-{[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonyl}-L-prolinamide
H34
H34
Name:(1-{4-[(7S,11S)-12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL
Formula:C23 H26 Cl N5 O
SMILES:Clc2ccc1c(N)c4c(nc1c2)CC5C=C(CCCCn3nnc(c3)CO)CC4C5
InChi:InChI=1S/C23H26ClN5O/c24-17-4-5-19-20(11-17)26-21-10-15-7-14(8-16(9-15)22(21)23(19)25)3-1-2-6-29-12-18(13-30)27-28-29/h4-5,7,11-12,15-16,30H,1-3,6,8-10,13H2,(H2,25,26)/t15-,16+/m0/s1
Definition date:2011-09-14
Last modified:2014-09-05
Identifier:(1-{4-[(7S,11S)-12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl]butyl}-1H-1,2,3-triazol-4-yl)methanol
2EW
2EW
Name:(3S,4S)-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide
Formula:C18 H24 N4 O5 S
SMILES:O=C(N1CCOCC1)C3C(C(=O)NCC=[N@H])CN(S(=O)(=O)c2ccccc2)C3
InChi:InChI=1S/C18H24N4O5S/c19-6-7-20-17(23)15-12-22(28(25,26)14-4-2-1-3-5-14)13-16(15)18(24)21-8-10-27-11-9-21/h1-6,15-16,19H,7-13H2,(H,20,23)/b19-6+/t15-,16-/m1/s1
Definition date:2013-10-01
Last modified:2014-09-05
Release date:2014-09-10
Identifier:(3S,4S)-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide
2GN
2GN
Name:N-(6-(4-(2h-tetrazol-5-yl)benzyl)-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,4-dichloro-5-(morpholinosulfonyl)benzamide
Formula:C27 H24 Cl2 N8 O4 S2
SMILES:O=S(=O)(N1CCOCC1)c2cc(c(Cl)cc2Cl)C(=O)Nc3sc4c(c3C#N)CCN(C4)Cc6ccc(c5nnnn5)cc6
InChi:InChI=1S/C27H24Cl2N8O4S2/c28-21-12-22(29)24(43(39,40)37-7-9-41-10-8-37)11-19(21)26(38)31-27-20(13-30)18-5-6-36(15-23(18)42-27)14-16-1-3-17(4-2-16)25-32-34-35-33-25/h1-4,11-12H,5-10,14-15H2,(H,31,38)(H,32,33,34,35)
Definition date:2013-02-05
Last modified:2014-09-05
Release date:2013-07-03
Identifier:2,4-dichloro-N-{3-cyano-6-[4-(2H-tetrazol-5-yl)benzyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}-5-(morpholin-4-ylsulfonyl)benzamide
HKY
HKY
Name:1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
Formula:C10 H11 N O2
SMILES:O=C(O)c1ccc2c(c1)CCNC2
InChi:InChI=1S/C10H11NO2/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8/h1-2,5,11H,3-4,6H2,(H,12,13)
Definition date:2013-06-28
Last modified:2014-09-05
Release date:2014-07-16
Identifier:1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
HUW
HUW
Name:HUPRINE W
Formula:C18 H19 Cl N2 O
SMILES:Clc2ccc1c(N)c3c(nc1c2)CC4C=C(CC3C4)CCO
InChi:InChI=1S/C18H19ClN2O/c19-13-1-2-14-15(9-13)21-16-8-11-5-10(3-4-22)6-12(7-11)17(16)18(14)20/h1-2,5,9,11-12,22H,3-4,6-8H2,(H2,20,21)/t11-,12+/m0/s1
Definition date:2012-10-06
Last modified:2014-09-05
Release date:2013-05-29
Identifier:2-[(7S,11S)-12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl]ethanol
F33
F33
Name:2-[4-(2-OXO-1,3-OXAZOLIDIN-3-YL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE
Formula:C17 H13 N3 O3
SMILES:O=C3c4ccccc4N=C(c2ccc(N1C(=O)OCC1)cc2)N3
InChi:InChI=1S/C17H13N3O3/c21-16-13-3-1-2-4-14(13)18-15(19-16)11-5-7-12(8-6-11)20-9-10-23-17(20)22/h1-8H,9-10H2,(H,18,19,21)
Definition date:2013-06-24
Last modified:2014-09-05
Release date:2013-10-30
Identifier:2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]quinazolin-4(3H)-one
F35
F35
Name:3-[[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]methyl]imidazolidine-2,4-dione
Formula:C18 H14 N4 O3
SMILES:O=C1c4ccccc4N=C(N1)c2ccc(cc2)CN3C(=O)CNC3=O
InChi:InChI=1S/C18H14N4O3/c23-15-9-19-18(25)22(15)10-11-5-7-12(8-6-11)16-20-14-4-2-1-3-13(14)17(24)21-16/h1-8H,9-10H2,(H,19,25)(H,20,21,24)
Definition date:2013-06-24
Last modified:2014-09-05
Release date:2013-10-30
Identifier:3-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)benzyl]imidazolidine-2,4-dione
F36
F36
Name:2-(4-acetylphenyl)-3,4-dihydroquinazolin-4-one
Formula:C16 H12 N2 O2
SMILES:O=C(c3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3)C
InChi:InChI=1S/C16H12N2O2/c1-10(19)11-6-8-12(9-7-11)15-17-14-5-3-2-4-13(14)16(20)18-15/h2-9H,1H3,(H,17,18,20)
Definition date:2013-06-20
Last modified:2014-09-05
Release date:2013-10-30
Identifier:2-(4-acetylphenyl)quinazolin-4(3H)-one
F37
F37
Name:(5S)-5-methyl-5-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione
Formula:C18 H14 N4 O3
SMILES:O=C1c4ccccc4N=C(N1)c2ccc(cc2)C3(C(=O)NC(=O)N3)C
InChi:InChI=1S/C18H14N4O3/c1-18(16(24)21-17(25)22-18)11-8-6-10(7-9-11)14-19-13-5-3-2-4-12(13)15(23)20-14/h2-9H,1H3,(H,19,20,23)(H2,21,22,24,25)/t18-/m0/s1
Definition date:2013-06-24
Last modified:2014-09-05
Release date:2013-10-30
Identifier:(5S)-5-methyl-5-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]imidazolidine-2,4-dione
F38
F38
Name:[4-(4-oxo-3,4-dihydroquinazolin-2- yl)phenyl]methanesulfonamide
Formula:C15 H13 N3 O3 S
SMILES:O=S(=O)(N)Cc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3
InChi:InChI=1S/C15H13N3O3S/c16-22(20,21)9-10-5-7-11(8-6-10)14-17-13-4-2-1-3-12(13)15(19)18-14/h1-8H,9H2,(H2,16,20,21)(H,17,18,19)
Definition date:2013-06-24
Last modified:2014-09-05
Release date:2013-10-30
Identifier:1-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methanesulfonamide

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数据于2024-08-07公开中

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