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PDB Info pages Status search Chemie search: 5225 results BIRD

X24

X24
Name:	TERT-BUTYL [(TRANS-4-{[({2-[4-(AMINOMETHYL)PHENYL]QUINOLIN-4-YL}CARBONYL)AMINO]METHYL}CYCLOHEXYL)METHYL]CARBAMATE
Formula:	C30 H38 N4 O3
SMILES:	O=C(OC(C)(C)C)NCC1CCC(CC1)CNC(=O)c2c4ccccc4nc(c2)c3ccc(cc3)CN
InChi:	InChI=1S/C30H38N4O3/c1-30(2,3)37-29(36)33-19-22-10-8-21(9-11-22)18-32-28(35)25-16-27(23-14-12-20(17-31)13-15-23)34-26-7-5-4-6-24(25)26/h4-7,12-16,21-22H,8-11,17-19,31H2,1-3H3,(H,32,35)(H,33,36)/t21-,22-
Definition date:	2010-01-11
Last modified:	2011-06-04
Identifier:	tert-butyl [(trans-4-{[({2-[4-(aminomethyl)phenyl]quinolin-4-yl}carbonyl)amino]methyl}cyclohexyl)methyl]carbamate

W37

W37
Name:	N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-6-YL]OXY}HEXYL)-N-METHYLPROP-2-EN-1-AMINE
Formula:	C25 H29 Br N2 O
SMILES:	Brc3ccc(c2nccc1cc(OCCCCCCN(CC=C)C)ccc12)cc3
InChi:	InChI=1S/C25H29BrN2O/c1-3-16-28(2)17-6-4-5-7-18-29-23-12-13-24-21(19-23)14-15-27-25(24)20-8-10-22(26)11-9-20/h3,8-15,19H,1,4-7,16-18H2,2H3
Definition date:	2002-10-03
Last modified:	2011-06-04
Identifier:	6-{[1-(4-bromophenyl)isoquinolin-6-yl]oxy}-N-methyl-N-prop-2-en-1-ylhexan-1-amine

OA3

OA3
Name:	4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
Formula:	C10 H13 N3 O
SMILES:	O=C2c1c(ncnc1N)CC(C2)(C)C
InChi:	InChI=1S/C10H13N3O/c1-10(2)3-6-8(7(14)4-10)9(11)13-5-12-6/h5H,3-4H2,1-2H3,(H2,11,12,13)
Definition date:	2008-12-18
Last modified:	2011-06-04
Identifier:	4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one

P48

P48
Name:	N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE
Formula:	C25 H32 N8 O
SMILES:	O=C(NC)c3nn(c2c1nc(ncc1CC(c23)(C)C)Nc4ccc(cc4)N5CCN(C)CC5)C
InChi:	InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29)
Definition date:	2009-05-13
Last modified:	2011-06-04
Identifier:	N,1,4,4-tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide

OA4

OA4
Name:	5-methyl-6-phenylquinazoline-2,4-diamine
Formula:	C15 H14 N4
SMILES:	n3c1c(c(c(cc1)c2ccccc2)C)c(nc3N)N
InChi:	InChI=1S/C15H14N4/c1-9-11(10-5-3-2-4-6-10)7-8-12-13(9)14(16)19-15(17)18-12/h2-8H,1H3,(H4,16,17,18,19)
Definition date:	2008-12-18
Last modified:	2011-06-04
Identifier:	5-methyl-6-phenylquinazoline-2,4-diamine

P49

P49
Name:	1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid
Formula:	C17 H15 N5 O2
SMILES:	O=C(O)c2nn(c3c1nc(ncc1CCc23)Nc4ccccc4)C
InChi:	InChI=1S/C17H15N5O2/c1-22-15-12(14(21-22)16(23)24)8-7-10-9-18-17(20-13(10)15)19-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,23,24)(H,18,19,20)
Definition date:	2009-05-14
Last modified:	2011-06-04
Identifier:	1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid

RXV

RXV
Name:	6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE
Formula:	C25 H27 N5 O2 S
SMILES:	N#Cc2cnc1c(cc(OC)cc1)c2CCN5CCC(NCc3ncc4OCSc4c3)CC5
InChi:	InChI=1S/C25H27N5O2S/c1-31-20-2-3-23-22(11-20)21(17(12-26)13-29-23)6-9-30-7-4-18(5-8-30)27-14-19-10-25-24(15-28-19)32-16-33-25/h2-3,10-11,13,15,18,27H,4-9,14,16H2,1H3
Definition date:	2010-04-25
Last modified:	2011-06-04
Identifier:	6-methoxy-4-(2-{4-[([1,3]oxathiolo[5,4-c]pyridin-6-ylmethyl)amino]piperidin-1-yl}ethyl)quinoline-3-carbonitrile

PXX

PXX
Name:	N-1,10-phenanthrolin-5-ylacetamide
Formula:	C14 H11 N3 O
SMILES:	O=C(Nc2cc1cccnc1c3ncccc23)C
InChi:	InChI=1S/C14H11N3O/c1-9(18)17-12-8-10-4-2-6-15-13(10)14-11(12)5-3-7-16-14/h2-8H,1H3,(H,17,18)
Definition date:	2009-01-05
Last modified:	2011-06-04
Identifier:	N-1,10-phenanthrolin-5-ylacetamide

PY1

PY1
Name:	4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE
Formula:	C17 H12 N4
SMILES:	n3ccc(c1c(nnc1)c2ncccc2)c4ccccc34
InChi:	InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
Definition date:	2003-07-21
Last modified:	2011-06-04
Identifier:	4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline

SS6

SS6
Name:	1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea
Formula:	C29 H30 N8 O
SMILES:	O=C(Nc3cccc(Nc2ncnc1c2cc(N)cc1)c3)Nc5cc(nn5c4cccc(c4)C)C(C)(C)C
InChi:	InChI=1S/C29H30N8O/c1-18-7-5-10-22(13-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-9-6-8-20(15-21)33-27-23-14-19(30)11-12-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)
Definition date:	2009-03-06
Last modified:	2011-06-04
Identifier:	1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea

P4O

P4O
Name:	2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
Formula:	C21 H16 N4 O
SMILES:	O=C2c1cc(nc1CCN2)c5ccnc(c3cc4ccccc4nc3)c5
InChi:	InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)
Definition date:	2006-12-09
Last modified:	2011-06-04
Identifier:	2-(2-quinolin-3-ylpyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one

SSC

SSC
Name:	(2S,5S)-5-CARBOXYMETHYLPROLINE
Formula:	C7 H11 N O4
SMILES:	O=C(O)CC1NC(C(=O)O)CC1
InChi:	InChI=1S/C7H11NO4/c9-6(10)3-4-1-2-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5-/m0/s1
Definition date:	2003-07-24
Last modified:	2011-06-04
Identifier:	(5S)-5-(carboxymethyl)-L-proline

NVB

NVB
Name:	N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide
Formula:	C24 H23 N3 O5 S
SMILES:	CN[S](=O)(=O)c1ccc(cc1)c2cccc3ncc(nc23)c4cc(OC)c(OC)c(OC)c4
InChi:	InChI=1S/C24H23N3O5S/c1-25-33(28,29)17-10-8-15(9-11-17)18-6-5-7-19-23(18)27-20(14-26-19)16-12-21(30-2)24(32-4)22(13-16)31-3/h5-14,25H,1-4H3
Definition date:	2010-02-17
Last modified:	2011-06-04
Identifier:	N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide

UFO

UFO
Name:	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine
Formula:	C11 H17 N3
SMILES:	c2c(cc1c(N(CCN1C)C)c2)CN
InChi:	InChI=1S/C11H17N3/c1-13-5-6-14(2)11-7-9(8-12)3-4-10(11)13/h3-4,7H,5-6,8,12H2,1-2H3
Definition date:	2009-03-26
Last modified:	2011-06-04
Identifier:	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine

NH7

NH7
Name:	2-[(S)-(4-chlorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-N-morpholin-4-yl-7-phenyl-1-benzofuran-5-carboxamide
Formula:	C30 H27 Cl N4 O4
SMILES:	O=C(NN1CCOCC1)c4cc2cc(oc2c(c3ccccc3)c4)C(O)(c5ccc(Cl)cc5)c6cncn6C
InChi:	InChI=1S/C30H27ClN4O4/c1-34-19-32-18-26(34)30(37,23-7-9-24(31)10-8-23)27-17-21-15-22(29(36)33-35-11-13-38-14-12-35)16-25(28(21)39-27)20-5-3-2-4-6-20/h2-10,15-19,37H,11-14H2,1H3,(H,33,36)/t30-/m0/s1
Definition date:	2008-02-26
Last modified:	2011-06-04
Identifier:	2-[(S)-(4-chlorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-N-morpholin-4-yl-7-phenyl-1-benzofuran-5-carboxamide

PK2

PK2
Name:	6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Formula:	C19 H27 N7 O
SMILES:	O=C1c3c(N=C(N)N1)c(c2nc(nc2c3)NC)CCNCC4CCCCC4
InChi:	InChI=1S/C19H27N7O/c1-21-19-23-14-9-13-15(24-18(20)26-17(13)27)12(16(14)25-19)7-8-22-10-11-5-3-2-4-6-11/h9,11,22H,2-8,10H2,1H3,(H2,21,23,25)(H3,20,24,26,27)
Definition date:	2008-10-02
Last modified:	2011-06-04
Identifier:	6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

PK3

PK3
Name:	6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Formula:	C12 H14 N6 O2
SMILES:	O=C3NC(=Nc2c(c1nc(nc1cc23)NC)CCO)N
InChi:	InChI=1S/C12H14N6O2/c1-14-12-15-7-4-6-8(16-11(13)18-10(6)20)5(2-3-19)9(7)17-12/h4,19H,2-3H2,1H3,(H2,14,15,17)(H3,13,16,18,20)
Definition date:	2008-10-02
Last modified:	2011-06-04
Identifier:	6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

TMQ

TMQ
Name:	TRIMETREXATE
Formula:	C19 H24 N5 O3
SMILES:	O(c1cc(cc(OC)c1OC)NCc2c(c3c(cc2)[nH+]c(nc3N)N)C)C
InChi:	InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)/p+1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2,4-diamino-5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}quinazolin-1-ium

PZ1

PZ1
Name:	(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE
Formula:	C34 H41 N3 O6
SMILES:	O=C5N(c2ccc(OCCCOCc1ccccc1OC)cc2)C(COC=4C=CC3=CC=CN(CCCO)C3C=4)CNC5
InChi:	InChI=1S/C34H41N3O6/c1-40-33-9-3-2-7-27(33)24-41-19-6-20-42-30-14-11-28(12-15-30)37-29(22-35-23-34(37)39)25-43-31-13-10-26-8-4-16-36(17-5-18-38)32(26)21-31/h2-4,7-16,21,29,32,35,38H,5-6,17-20,22-25H2,1H3/t29-,32?/m1/s1
Definition date:	2005-02-18
Last modified:	2011-06-04
Identifier:	(6R)-6-({[(8aR)-1-(3-hydroxypropyl)-1,8a-dihydroquinolin-7-yl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)piperazin-2-one

NHO

NHO
Name:	NICOTINAMIDE-ADENINE-DINUCLEOTIDE-5-HYDROXY-4-OXONORVALINE
Formula:	C26 H35 N8 O18 P2
SMILES:	N[CH](CC(=O)[CH](O)c1cc[n+](cc1C(N)=O)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O)C(O)=O
InChi:	InChI=1S/C26H34N8O18P2/c27-11(26(42)43)3-12(35)16(36)9-1-2-33(4-10(9)22(29)41)24-19(39)17(37)13(50-24)5-48-53(44,45)52-54(46,47)49-6-14-18(38)20(40)25(51-14)34-8-32-15-21(28)30-7-31-23(15)34/h1-2,4,7-8,11,13-14,16-20,24-25,36-40H,3,5-6,27H2,(H6-,28,29,30,31,41,42,43,44,45,46,47)/p+1/t11-,13+,14+,16-,17+,18+,19+,20+,24+,25+/m0/s1
Definition date:	2003-08-20
Last modified:	2011-06-04
Identifier:	(2S,5S)-2-amino-5-[3-aminocarbonyl-1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-oxolan-2-yl]pyridin-1-ium-4-yl]-5-hydroxy-4-oxo-pentanoic acid

PKF

PKF
Name:	CARBOBENZOXY-PRO-LYS-PHE-Y(PO2)-ALA-PRO-OME
Formula:	C36 H52 N6 O9 P
SMILES:	O=C(NC(C(=O)NC(Cc1ccccc1)P(=O)(O)NC(C(=O)N2C(C(=O)OC)CCC2)C)CCCC[NH3+])C4N(C(=O)OCc3ccccc3)CCC4
InChi:	InChI=1S/C36H51N6O9P/c1-25(34(45)41-21-12-19-30(41)35(46)50-2)40-52(48,49)31(23-26-13-5-3-6-14-26)39-32(43)28(17-9-10-20-37)38-33(44)29-18-11-22-42(29)36(47)51-24-27-15-7-4-8-16-27/h3-8,13-16,25,28-31H,9-12,17-24,37H2,1-2H3,(H,38,44)(H,39,43)(H2,40,48,49)/p+1/t25-,28-,29-,30-,31+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	methyl N-[(R)-[(1R)-1-({1-[(benzyloxy)carbonyl]-L-prolyl-6-ammonio-L-norleucyl}amino)-2-phenylethyl](hydroxy)phosphoryl]-L-alanyl-L-prolinate

Y11

Y11
Name:	N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
Formula:	C21 H35 N5 O3
SMILES:	O=C(NC(C(=O)NC1(C#N)CCN(C)CC1)CC2CCCCC2)N3CCOCC3
InChi:	InChI=1S/C21H35N5O3/c1-25-9-7-21(16-22,8-10-25)24-19(27)18(15-17-5-3-2-4-6-17)23-20(28)26-11-13-29-14-12-26/h17-18H,2-15H2,1H3,(H,23,28)(H,24,27)/t18-/m0/s1
Definition date:	2007-09-24
Last modified:	2011-06-04
Identifier:	N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide

NHS

NHS
Name:	10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID
Formula:	C23 H22 N4 O8
SMILES:	O=C(O)C(NC(=O)c1ccc(cc1)C(C(=O)O)Cc3ccc2N=C(NC(=O)c2c3)N)CCC(=O)O
InChi:	InChI=1S/C23H22N4O8/c24-23-26-16-6-1-11(10-15(16)20(31)27-23)9-14(21(32)33)12-2-4-13(5-3-12)19(30)25-17(22(34)35)7-8-18(28)29/h1-6,10,14,17H,7-9H2,(H,25,30)(H,28,29)(H,32,33)(H,34,35)(H3,24,26,27,31)/t14-,17-/m0/s1
Definition date:	1999-07-30
Last modified:	2011-06-04
Identifier:	N-({4-[(1S)-2-(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)-1-carboxyethyl]phenyl}carbonyl)-L-glutamic acid

STC

STC
Name:	3-[(4-CHLOROANILINO)SULFONYL]THIOPHENE-2-CARBOXYLIC ACID
Formula:	C11 H8 Cl N O4 S2
SMILES:	O=C(O)c1sccc1S(=O)(=O)Nc2ccc(Cl)cc2
InChi:	InChI=1S/C11H8ClNO4S2/c12-7-1-3-8(4-2-7)13-19(16,17)9-5-6-18-10(9)11(14)15/h1-6,13H,(H,14,15)
Definition date:	2002-03-04
Last modified:	2011-06-04
Identifier:	3-[(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylic acid

Y14

Y14
Name:	N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
Formula:	C26 H37 N5 O3
SMILES:	O=C(NC(C(=O)NC2(C#N)CCN(Cc1ccccc1)C2)CC3CCCCC3)N4CCOCC4
InChi:	InChI=1S/C26H37N5O3/c27-19-26(11-12-30(20-26)18-22-9-5-2-6-10-22)29-24(32)23(17-21-7-3-1-4-8-21)28-25(33)31-13-15-34-16-14-31/h2,5-6,9-10,21,23H,1,3-4,7-8,11-18,20H2,(H,28,33)(H,29,32)/t23-,26+/m0/s1
Definition date:	2007-09-24
Last modified:	2011-06-04
Identifier:	N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide

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