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PDB Info pages Status search Chemie search: 5225 results BIRD

HRD

HRD
Name:	2,6-bis(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Formula:	C11 H12 N6 O
SMILES:	O=C2c3cc1nc(nc1cc3N=C(NC)N2)NC
InChi:	InChI=1S/C11H12N6O/c1-12-10-15-7-3-5-6(4-8(7)16-10)14-11(13-2)17-9(5)18/h3-4H,1-2H3,(H2,12,15,16)(H2,13,14,17,18)
Definition date:	2011-05-04
Last modified:	2012-04-20
Identifier:	2,6-bis(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

0NS

0NS
Name:	2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide
Formula:	C16 H17 N3 O4 S
SMILES:	O=S(=O)(c1ccccc1OC)Nc2ccc3NC(=O)N(Cc3c2)C
InChi:	InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)
Definition date:	2012-03-26
Last modified:	2012-04-13
Identifier:	2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide

Q17

Q17
Name:	2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol
Formula:	C17 H18 N4 O
SMILES:	n2c1c(cccc1)c(nc2c3ccccc3O)NCCCN
InChi:	InChI=1S/C17H18N4O/c18-10-5-11-19-16-12-6-1-3-8-14(12)20-17(21-16)13-7-2-4-9-15(13)22/h1-4,6-9,22H,5,10-11,18H2,(H,19,20,21)
Definition date:	2011-09-22
Last modified:	2012-04-06
Identifier:	2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol

S25

S25
Name:	N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide
Formula:	C20 H23 N7 O2 S
SMILES:	O=C(NCCN)c4cc(c1sc(nc1)Nc3nccc(N2CCOCC2)c3)cnc4
InChi:	InChI=1S/C20H23N7O2S/c21-2-4-24-19(28)15-9-14(11-22-12-15)17-13-25-20(30-17)26-18-10-16(1-3-23-18)27-5-7-29-8-6-27/h1,3,9-13H,2,4-8,21H2,(H,24,28)(H,23,25,26)
Definition date:	2011-10-03
Last modified:	2012-04-06
Identifier:	N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide

07S

07S
Name:	1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanone
Formula:	C23 H27 N7 O2 S
SMILES:	O=C(N1CCOCC1)CN5CCN(c2cc(ncc2)Nc3ncc(s3)c4cccnc4)CC5
InChi:	InChI=1S/C23H27N7O2S/c31-22(30-10-12-32-13-11-30)17-28-6-8-29(9-7-28)19-3-5-25-21(14-19)27-23-26-16-20(33-23)18-2-1-4-24-15-18/h1-5,14-16H,6-13,17H2,(H,25,26,27)
Definition date:	2011-10-03
Last modified:	2012-04-06
Identifier:	1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanone

LK0

LK0
Name:	methyl N-[(2S)-1-[[(2S,3S,5S)-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
Formula:	C39 H53 N5 O7
SMILES:	O=C(OC)NC(C(=O)NC(Cc1ccccc1)CC(O)C(NC(=O)C(NC(=O)OC)C(C)(C)C)Cc3ccc(c2cccnc2)cc3)C(C)(C)C
InChi:	InChI=1S/C39H53N5O7/c1-38(2,3)32(43-36(48)50-7)34(46)41-29(21-25-13-10-9-11-14-25)23-31(45)30(42-35(47)33(39(4,5)6)44-37(49)51-8)22-26-16-18-27(19-17-26)28-15-12-20-40-24-28/h9-20,24,29-33,45H,21-23H2,1-8H3,(H,41,46)(H,42,47)(H,43,48)(H,44,49)/t29-,30-,31-,32+,33+/m0/s1
Definition date:	2011-06-03
Last modified:	2012-04-06
Identifier:	methyl {(5S,8S,10S,11S,14S)-8-benzyl-5-tert-butyl-10-hydroxy-15,15-dimethyl-3,6,13-trioxo-11-[4-(pyridin-3-yl)benzyl]-2-oxa-4,7,12-triazahexadecan-14-yl}carbamate (non-preferred name)

0FZ

0FZ
Name:	4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide
Formula:	C16 H16 N2 O3 S
SMILES:	O=S(=O)(N)c3ccc(C1=NCCc2cc(OC)ccc12)cc3
InChi:	InChI=1S/C16H16N2O3S/c1-21-13-4-7-15-12(10-13)8-9-18-16(15)11-2-5-14(6-3-11)22(17,19)20/h2-7,10H,8-9H2,1H3,(H2,17,19,20)
Definition date:	2012-01-05
Last modified:	2012-03-30
Identifier:	4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide

0N6

0N6
Name:	(R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
Formula:	C23 H26 N4 O3 S
SMILES:	O=C(N1CCCC1)C(NS(=O)(=O)c2cc3c(cc2)CNCC3)Cc4cccc(C#N)c4
InChi:	InChI=1S/C23H26N4O3S/c24-15-18-5-3-4-17(12-18)13-22(23(28)27-10-1-2-11-27)26-31(29,30)21-7-6-20-16-25-9-8-19(20)14-21/h3-7,12,14,22,25-26H,1-2,8-11,13,16H2/t22-/m1/s1
Definition date:	2012-03-15
Last modified:	2012-03-23
Identifier:	N-[(2R)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide

5MZ

5MZ
Name:	3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline
Formula:	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
Definition date:	2011-04-04
Last modified:	2012-03-16
Identifier:	3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline

Q8A

Q8A
Name:	quinolin-8-amine
Formula:	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
Definition date:	2011-03-22
Last modified:	2012-03-16
Identifier:	quinolin-8-amine

0FK

0FK
Name:	8-hydroxyquinoline-2-carboxamide
Formula:	C10 H8 N2 O2
SMILES:	O=C(c1nc2c(O)cccc2cc1)N
InChi:	InChI=1S/C10H8N2O2/c11-10(14)7-5-4-6-2-1-3-8(13)9(6)12-7/h1-5,13H,(H2,11,14)
Definition date:	2012-01-04
Last modified:	2012-03-16
Identifier:	8-hydroxyquinoline-2-carboxamide

0J0

0J0
Name:	(3-exo)-8,8-dimethyl-3-(4-{[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octane
Formula:	C22 H28 N5 O2
SMILES:	O=C5N(c1ccccc1C(OCc2nnn(c2)C4CC3CCC([N+]3(C)C)C4)=C5)C
InChi:	InChI=1S/C22H28N5O2/c1-25-20-7-5-4-6-19(20)21(12-22(25)28)29-14-15-13-26(24-23-15)16-10-17-8-9-18(11-16)27(17,2)3/h4-7,12-13,16-18H,8-11,14H2,1-3H3/q+1/t16-,17-,18+
Definition date:	2012-01-19
Last modified:	2012-03-16
Identifier:	(3-exo)-8,8-dimethyl-3-(4-{[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octane

0JQ

0JQ
Name:	2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol
Formula:	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
Definition date:	2012-01-26
Last modified:	2012-03-16
Identifier:	2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol

0L9

0L9
Name:	(2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid
Formula:	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
Definition date:	2012-02-10
Last modified:	2012-03-16
Identifier:	(2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid

5AO

5AO
Name:	3-(1,3-oxazol-5-yl)aniline
Formula:	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
Definition date:	2011-04-01
Last modified:	2012-03-16
Identifier:	3-(1,3-oxazol-5-yl)aniline

DIW

DIW
Name:	1-(3-sulfopropyl)-4-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]quinolinium
Formula:	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
Definition date:	2011-07-28
Last modified:	2012-03-16
Identifier:	1-(3-sulfopropyl)-4-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]quinolinium

JDC

JDC
Name:	(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
Formula:	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
Definition date:	2012-02-02
Last modified:	2012-03-16
Identifier:	(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

YEX

YEX
Name:	5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE
Formula:	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)
Definition date:	2011-03-31
Last modified:	2012-03-09
Identifier:	5-methyl-8-(1H-pyrrol-2-yl)[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one

TQ1

TQ1
Name:	5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE
Formula:	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)
Definition date:	2011-03-30
Last modified:	2012-03-09
Identifier:	5-(hydroxymethyl)-8-(1H-pyrrol-2-yl)[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one

0JP

0JP
Name:	8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline
Formula:	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
Definition date:	2012-01-25
Last modified:	2012-03-09
Identifier:	8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline

C4Q

C4Q
Name:	4-(1,4,7,10-tetraazacyclododecan-1-ylmethyl)quinoline
Formula:	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
Definition date:	2012-01-24
Last modified:	2012-03-09
Identifier:	4-(1,4,7,10-tetraazacyclododecan-1-ylmethyl)quinoline

98P

98P
Name:	D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-3-yl)methyl]-L-prolinamide
Formula:	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
Definition date:	2011-03-18
Last modified:	2012-03-09
Identifier:	D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-3-yl)methyl]-L-prolinamide

02P

02P
Name:	D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-2-yl)methyl]-L-prolinamide
Formula:	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
Definition date:	2011-03-18
Last modified:	2012-03-02
Identifier:	D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-2-yl)methyl]-L-prolinamide

BPU

BPU
Name:	7-bromopyrrolo[1,2-a]quinoxalin-4(5H)-one
Formula:	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)
Definition date:	2010-09-30
Last modified:	2012-02-27
Identifier:	7-bromopyrrolo[1,2-a]quinoxalin-4(5H)-one

04C

04C
Name:	1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol
Formula:	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
Definition date:	2011-12-29
Last modified:	2012-02-24
Identifier:	1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol

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