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3PF
3PF
Name:3-methyl-3,4-dihydroquinazolin-2(1H)-one
Formula:C9 H10 N2 O
SMILES:O=C2Nc1c(cccc1)CN2C
InChi:InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
Definition date:2010-10-01
Last modified:2011-06-04
Identifier:3-methyl-3,4-dihydroquinazolin-2(1H)-one
3PS
3PS
Name:4-amino-N-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide
Formula:C16 H15 N5 O2
SMILES:O=C(Nc1cnc(OC)cc1)c3c2nc(nc(N)c2ccc3)C
InChi:InChI=1S/C16H15N5O2/c1-9-19-14-11(15(17)20-9)4-3-5-12(14)16(22)21-10-6-7-13(23-2)18-8-10/h3-8H,1-2H3,(H,21,22)(H2,17,19,20)
Definition date:2010-12-07
Last modified:2011-06-04
Identifier:4-amino-N-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide
3Q1
3Q1
Name:6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2H-indazol-3-amine
Formula:C15 H17 N7 O
SMILES:n3c(nc(c2ccc1c(N)nnc1c2)cc3N4CCOCC4)N
InChi:InChI=1S/C15H17N7O/c16-14-10-2-1-9(7-12(10)20-21-14)11-8-13(19-15(17)18-11)22-3-5-23-6-4-22/h1-2,7-8H,3-6H2,(H3,16,20,21)(H2,17,18,19)
Definition date:2011-01-18
Last modified:2011-06-04
Identifier:6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2H-indazol-3-amine
3Q2
3Q2
Name:6-{2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2H-indazol-3-amine
Formula:C16 H19 N7 O
SMILES:n3c(nc(c2ccc1c(N)nnc1c2)cc3N4C(COCC4)C)N
InChi:InChI=1S/C16H19N7O/c1-9-8-24-5-4-23(9)14-7-12(19-16(18)20-14)10-2-3-11-13(6-10)21-22-15(11)17/h2-3,6-7,9H,4-5,8H2,1H3,(H3,17,21,22)(H2,18,19,20)/t9-/m1/s1
Definition date:2011-01-18
Last modified:2011-06-04
Identifier:6-{2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2H-indazol-3-amine
3Q3
3Q3
Name:(2S)-4-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide
Formula:C22 H22 N8 O2
SMILES:O=C(Nc1ccccc1)C5OCCN(c4nc(nc(c3ccc2c(N)nnc2c3)c4)N)C5
InChi:InChI=1S/C22H22N8O2/c23-20-15-7-6-13(10-17(15)28-29-20)16-11-19(27-22(24)26-16)30-8-9-32-18(12-30)21(31)25-14-4-2-1-3-5-14/h1-7,10-11,18H,8-9,12H2,(H,25,31)(H3,23,28,29)(H2,24,26,27)/t18-/m0/s1
Definition date:2011-01-18
Last modified:2011-06-04
Identifier:(2S)-4-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide
3QC
3QC
Name:(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE
Formula:C20 H24 N2 O2
SMILES:O=C(N(C)C)N3Cc1c(ccc(c1C)C)C(c2cccc(O)c2)C3
InChi:InChI=1S/C20H24N2O2/c1-13-8-9-17-18(14(13)2)11-22(20(24)21(3)4)12-19(17)15-6-5-7-16(23)10-15/h5-10,19,23H,11-12H2,1-4H3/t19-/m1/s1
Definition date:2006-01-23
Last modified:2011-06-04
Identifier:(4R)-4-(3-hydroxyphenyl)-N,N,7,8-tetramethyl-3,4-dihydroisoquinoline-2(1H)-carboxamide
3RH
3RH
Name:(6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
Formula:C18 H15 N3
SMILES:n4c3c1c(cccc1)C(c2ccccc2)Cc3cnc4N
InChi:InChI=1S/C18H15N3/c19-18-20-11-13-10-16(12-6-2-1-3-7-12)14-8-4-5-9-15(14)17(13)21-18/h1-9,11,16H,10H2,(H2,19,20,21)/t16-/m0/s1
Definition date:2011-04-19
Last modified:2011-06-04
Identifier:(6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
3RZ
3RZ
Name:4-amino-2-methyl-N-(1H-pyrazol-3-yl)quinazoline-8-carboxamide
Formula:C13 H12 N6 O
SMILES:O=C(c2c1nc(nc(N)c1ccc2)C)Nc3nncc3
InChi:InChI=1S/C13H12N6O/c1-7-16-11-8(12(14)17-7)3-2-4-9(11)13(20)18-10-5-6-15-19-10/h2-6H,1H3,(H2,14,16,17)(H2,15,18,19,20)
Definition date:2010-12-07
Last modified:2011-06-04
Identifier:4-amino-2-methyl-N-(1H-pyrazol-3-yl)quinazoline-8-carboxamide
3SZ
3SZ
Name:3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline
Formula:C19 H23 N3 O6 S2
SMILES:O=S(=O)(c1cc(N)ccc1)N2CCCN(CC2)S(=O)(=O)c3ccc4OCCOc4c3
InChi:InChI=1S/C19H23N3O6S2/c20-15-3-1-4-16(13-15)29(23,24)21-7-2-8-22(10-9-21)30(25,26)17-5-6-18-19(14-17)28-12-11-27-18/h1,3-6,13-14H,2,7-12,20H2
Definition date:2010-04-19
Last modified:2011-06-04
Identifier:3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline
3TH
3TH
Name:2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE
Formula:C16 H12 Cl N3 O2 S
SMILES:Clc2sc1nc(cc1c2)C(=O)NC4C(=O)Nc3ccccc3C4
InChi:InChI=1S/C16H12ClN3O2S/c17-13-7-9-6-12(20-16(9)23-13)15(22)19-11-5-8-3-1-2-4-10(8)18-14(11)21/h1-4,6-7,11,20H,5H2,(H,18,21)(H,19,22)/t11-/m1/s1
Definition date:2006-04-13
Last modified:2011-06-04
Identifier:2-chloro-N-[(3R)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
7L4
7L4
Name:2-PHENYLQUINOLIN-4-OL
Formula:C15 H11 N O
SMILES:Oc1cc(nc2ccccc12)c3ccccc3
InChi:InChI=1S/C15H11NO/c17-15-10-14(11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)15/h1-10H,(H,16,17)
Definition date:2010-11-16
Last modified:2011-06-04
Identifier:2-phenylquinolin-4-ol
7X1
7X1
Name:N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
Formula:C24 H27 Cl N4 O4
SMILES:Clc1ccc5OCOc5c1Nc4ncnc3c4cc(OC)c(OCCCN2CCCCC2)c3
InChi:InChI=1S/C24H27ClN4O4/c1-30-20-12-16-18(13-21(20)31-11-5-10-29-8-3-2-4-9-29)26-14-27-24(16)28-22-17(25)6-7-19-23(22)33-15-32-19/h6-7,12-14H,2-5,8-11,15H2,1H3,(H,26,27,28)
Definition date:2008-06-27
Last modified:2011-06-04
Identifier:N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
7X7
7X7
Name:N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE
Formula:C21 H20 Cl N5 O3
SMILES:Clc2ccc1OCOc1c2Nc3nc(ncc3)Nc5cc(N4CCOCC4)ccc5
InChi:InChI=1S/C21H20ClN5O3/c22-16-4-5-17-20(30-13-29-17)19(16)25-18-6-7-23-21(26-18)24-14-2-1-3-15(12-14)27-8-10-28-11-9-27/h1-7,12H,8-11,13H2,(H2,23,24,25,26)
Definition date:2008-06-30
Last modified:2011-06-04
Identifier:N~4~-(5-chloro-1,3-benzodioxol-4-yl)-N~2~-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
701
701
Name:(2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE
Formula:C18 H24 Cl N3 O5 S2
SMILES:Clc3sc(/C(=C/S(=O)(=O)NC2C(=O)N(C(C(=O)N1CCOCC1)C)CC2)C)cc3
InChi:InChI=1S/C18H24ClN3O5S2/c1-12(15-3-4-16(19)28-15)11-29(25,26)20-14-5-6-22(18(14)24)13(2)17(23)21-7-9-27-10-8-21/h3-4,11,13-14,20H,5-10H2,1-2H3/b12-11+/t13-,14-/m0/s1
Definition date:2007-03-27
Last modified:2011-06-04
Identifier:(1E)-2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}prop-1-ene-1-sulfonamide
723
723
Name:(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid
Formula:C17 H12 Cl N O3
SMILES:OC(=O)CC1=C(c2ccccc2)c3cc(Cl)ccc3NC1=O
InChi:InChI=1S/C17H12ClNO3/c18-11-6-7-14-12(8-11)16(10-4-2-1-3-5-10)13(9-15(20)21)17(22)19-14/h1-8H,9H2,(H,19,22)(H,20,21)
Definition date:2010-02-19
Last modified:2011-06-04
Identifier:2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)ethanoic acid
737
737
Name:N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-2-{6-OXO-5-[(QUINOLIN-8-YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN-1-YL}-ACETAMIDE
Formula:C32 H33 N9 O3 S
SMILES:O=C(c1nccs1)C(NC(=O)CN4C(=NC=C(NCc3c2ncccc2ccc3)C4=O)c5cccc(c5)C)CCCNC(=[N@H])N
InChi:InChI=1S/C32H33N9O3S/c1-20-6-2-8-22(16-20)29-39-18-25(38-17-23-9-3-7-21-10-4-12-35-27(21)23)31(44)41(29)19-26(42)40-24(11-5-13-37-32(33)34)28(43)30-36-14-15-45-30/h2-4,6-10,12,14-16,18,24,38H,5,11,13,17,19H2,1H3,(H,40,42)(H4,33,34,37)/t24-/m0/s1
Definition date:2005-07-27
Last modified:2011-06-04
Identifier:N-[(1S)-4-carbamimidamido-1-(1,3-thiazol-2-ylcarbonyl)butyl]-2-[2-(3-methylphenyl)-6-oxo-5-[(quinolin-8-ylmethyl)amino]pyrimidin-1(6H)-yl]acetamide
73Q
73Q
Name:6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE
Formula:C12 H10 Cl N3 O2
SMILES:Clc3cc2C(=O)c1c(nn(c1N(O)c2cc3)C)C
InChi:InChI=1S/C12H10ClN3O2/c1-6-10-11(17)8-5-7(13)3-4-9(8)16(18)12(10)15(2)14-6/h3-5,18H,1-2H3
Definition date:2006-04-10
Last modified:2011-06-04
Identifier:6-chloro-9-hydroxy-1,3-dimethyl-1,9-dihydro-4H-pyrazolo[3,4-b]quinolin-4-one
741
741
Name:4-[[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[3-(2-hydroxyethyl-methyl-amino)propoxy]-6-methoxy-quinoline-3-carbonitrile
Formula:C27 H29 Cl N6 O3 S
SMILES:N#Cc2cnc1c(cc(OC)c(OCCCN(CCO)C)c1)c2Nc4cc(Cl)c(Sc3nccn3C)cc4
InChi:InChI=1S/C27H29ClN6O3S/c1-33(10-11-35)8-4-12-37-24-15-22-20(14-23(24)36-3)26(18(16-29)17-31-22)32-19-5-6-25(21(28)13-19)38-27-30-7-9-34(27)2/h5-7,9,13-15,17,35H,4,8,10-12H2,1-3H3,(H,31,32)
Definition date:2008-11-06
Last modified:2011-06-04
Identifier:4-({3-chloro-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}amino)-7-{3-[(2-hydroxyethyl)(methyl)amino]propoxy}-6-methoxyquinoline-3-carbonitrile
750
750
Name:5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ACID ((S)-3-METHYL-1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE
Formula:C40 H47 N5 O7
SMILES:O=C3CN(C(=O)Cc2cccc(c1ncccc1)c2)CCCC3NC(=O)C(NC(=O)c6oc5c(cc(OCCN4CCOCC4)cc5)c6)CC(C)C
InChi:InChI=1S/C40H47N5O7/c1-27(2)21-34(43-40(49)37-25-30-24-31(11-12-36(30)52-37)51-20-17-44-15-18-50-19-16-44)39(48)42-33-10-6-14-45(26-35(33)46)38(47)23-28-7-5-8-29(22-28)32-9-3-4-13-41-32/h3-5,7-9,11-13,22,24-25,27,33-34H,6,10,14-21,23,26H2,1-2H3,(H,42,48)(H,43,49)/t33-,34-/m0/s1
Definition date:2003-01-07
Last modified:2011-06-04
Identifier:N-[(1S)-3-methyl-1-({(4S)-3-oxo-1-[(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl}carbamoyl)butyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide
C0P
C0P
Name:4-CHLORO-6-[2,4-DICHLORO-5-(2-MORPHOLIN-4-YLETHOXY)PHENYL]PYRIMIDIN-2-AMINE
Formula:C16 H17 Cl3 N4 O2
SMILES:Clc1nc(nc(c1)c3cc(OCCN2CCOCC2)c(Cl)cc3Cl)N
InChi:InChI=1S/C16H17Cl3N4O2/c17-11-8-12(18)14(25-6-3-23-1-4-24-5-2-23)7-10(11)13-9-15(19)22-16(20)21-13/h7-9H,1-6H2,(H2,20,21,22)
Definition date:2010-06-21
Last modified:2011-06-04
Identifier:4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
C0Y
C0Y
Name:(3-TERT-BUTYL-4-HYDROXYPHENYL)MORPHOLIN-4-YL-METHANONE
Formula:C15 H21 N O3
SMILES:O=C(c1ccc(O)c(c1)C(C)(C)C)N2CCOCC2
InChi:InChI=1S/C15H21NO3/c1-15(2,3)12-10-11(4-5-13(12)17)14(18)16-6-8-19-9-7-16/h4-5,10,17H,6-9H2,1-3H3
Definition date:2010-06-21
Last modified:2011-06-04
Identifier:2-tert-butyl-4-(morpholin-4-ylcarbonyl)phenol
C19
C19
Name:3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one
Formula:C24 H23 N5 O
SMILES:O=C5C(c2cc1cnc(nc1cc2)N)=C(C=CN5c3ccc4c(c3)NCC4(C)C)C
InChi:InChI=1S/C24H23N5O/c1-14-8-9-29(17-5-6-18-20(11-17)27-13-24(18,2)3)22(30)21(14)15-4-7-19-16(10-15)12-26-23(25)28-19/h4-12,27H,13H2,1-3H3,(H2,25,26,28)
Definition date:2008-04-01
Last modified:2011-06-04
Identifier:3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-4-methylpyridin-2(1H)-one
C28
C28
Name:N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MORPHOLIN-4-YLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE
Formula:C19 H26 F4 N4 O4 S
SMILES:O=S(=O)(N1CCOCC1)CC(C(=O)NC2(CN)CC2)NC(c3ccc(F)cc3)C(F)(F)F
InChi:InChI=1S/C19H26F4N4O4S/c20-14-3-1-13(2-4-14)16(19(21,22)23)25-15(17(28)26-18(12-24)5-6-18)11-32(29,30)27-7-9-31-10-8-27/h1-4,15-16,25H,5-12,24H2,(H,26,28)/t15-,16-/m0/s1
Definition date:2006-02-03
Last modified:2011-06-04
Identifier:N-[1-(aminomethyl)cyclopropyl]-3-(morpholin-4-ylsulfonyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alaninamide
C47
C47
Name:METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL-9-OXO-NONANOYL]-3,4-DIHYDRO-2H-QUINOLINE-3-CARBOXYLATE
Formula:C27 H43 N3 O5
SMILES:O=C(NCCCC)C(C)CC(O)C(N)CC(C)(C)CC(=O)N2c1ccccc1CC(C(=O)OC)C2
InChi:InChI=1S/C27H43N3O5/c1-6-7-12-29-25(33)18(2)13-23(31)21(28)15-27(3,4)16-24(32)30-17-20(26(34)35-5)14-19-10-8-9-11-22(19)30/h8-11,18,20-21,23,31H,6-7,12-17,28H2,1-5H3,(H,29,33)/t18-,20-,21+,23+/m1/s1
Definition date:2007-05-22
Last modified:2011-06-04
Identifier:methyl (3R)-1-[(5S,6S,8R)-5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-1,2,3,4-tetrahydroquinoline-3-carboxylate
C52
C52
Name:3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one
Formula:C21 H15 F3 N4 O
SMILES:FC(F)(F)c1cc(ccc1)N2C=CC(=C(C2=O)c4cc3cnc(nc3cc4)N)C
InChi:InChI=1S/C21H15F3N4O/c1-12-7-8-28(16-4-2-3-15(10-16)21(22,23)24)19(29)18(12)13-5-6-17-14(9-13)11-26-20(25)27-17/h2-11H,1H3,(H2,25,26,27)
Definition date:2008-04-01
Last modified:2011-06-04
Identifier:3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one

223532

数据于2024-08-07公开中

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