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PDB Info pages Status search Chemie search: 5215 results BIRD

53Y

53Y
Name:	pyrrolo[1,2-a]quinoxalin-4(5H)-one
Formula:	C11 H8 N2 O
SMILES:	c3cc2C(Nc1ccccc1n2c3)=O
InChi:	InChI=1S/C11H8N2O/c14-11-10-6-3-7-13(10)9-5-2-1-4-8(9)12-11/h1-7H,(H,12,14)
Definition date:	2015-07-23
Last modified:	2015-11-13
Release date:	2015-11-18
Identifier:	pyrrolo[1,2-a]quinoxalin-4(5H)-one

41R

41R
Name:	N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide
Formula:	C16 H25 F N2 O4 S
SMILES:	Fc1c(cc(cc1)S(=O)(=O)N(C(C(=O)NO)C(C)C)CC(C)C)C
InChi:	InChI=1S/C16H25FN2O4S/c1-10(2)9-19(15(11(3)4)16(20)18-21)24(22,23)13-6-7-14(17)12(5)8-13/h6-8,10-11,15,21H,9H2,1-5H3,(H,18,20)/t15-/m1/s1
Definition date:	2015-01-16
Last modified:	2015-11-06
Release date:	2015-11-11
Identifier:	N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide

41S

41S
Name:	N~2~-[(4-fluoro-3-methoxyphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide
Formula:	C16 H25 F N2 O5 S
SMILES:	Fc1c(OC)cc(cc1)S(=O)(=O)N(C(C(=O)NO)C(C)C)CC(C)C
InChi:	InChI=1S/C16H25FN2O5S/c1-10(2)9-19(15(11(3)4)16(20)18-21)25(22,23)12-6-7-13(17)14(8-12)24-5/h6-8,10-11,15,21H,9H2,1-5H3,(H,18,20)/t15-/m1/s1
Definition date:	2015-01-16
Last modified:	2015-11-06
Release date:	2015-11-11
Identifier:	N~2~-[(4-fluoro-3-methoxyphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide

41T

41T
Name:	N-hydroxy-N~2~-{[3-(methoxymethyl)phenyl]sulfonyl}-N~2~-(2-methylpropyl)-D-valinamide
Formula:	C17 H28 N2 O5 S
SMILES:	O=S(=O)(N(C(C(=O)NO)C(C)C)CC(C)C)c1cc(ccc1)COC
InChi:	InChI=1S/C17H28N2O5S/c1-12(2)10-19(16(13(3)4)17(20)18-21)25(22,23)15-8-6-7-14(9-15)11-24-5/h6-9,12-13,16,21H,10-11H2,1-5H3,(H,18,20)/t16-/m1/s1
Definition date:	2015-01-16
Last modified:	2015-11-06
Release date:	2015-11-11
Identifier:	N-hydroxy-N~2~-{[3-(methoxymethyl)phenyl]sulfonyl}-N~2~-(2-methylpropyl)-D-valinamide

5ML

5ML
Name:	3-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide
Formula:	C28 H28 N4 O
SMILES:	CN1CCN(CC1)c2ccc(cc2NC(=O)c3cccc(C)c3)c4cnc5ccccc5c4
InChi:	InChI=1S/C28H28N4O/c1-20-6-5-8-23(16-20)28(33)30-26-18-21(10-11-27(26)32-14-12-31(2)13-15-32)24-17-22-7-3-4-9-25(22)29-19-24/h3-11,16-19H,12-15H2,1-2H3,(H,30,33)
Definition date:	2015-10-22
Last modified:	2015-10-30
Release date:	2015-11-04
Identifier:	3-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide

UO1

UO1
Name:	N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide
Formula:	C19 H18 N2 O3
SMILES:	CC(=O)n1c3c(c(c1)N(c2cc(ccc2C)O)C(C)=O)cccc3
InChi:	InChI=1S/C19H18N2O3/c1-12-8-9-15(24)10-18(12)21(14(3)23)19-11-20(13(2)22)17-7-5-4-6-16(17)19/h4-11,24H,1-3H3
Definition date:	2015-10-12
Last modified:	2015-10-23
Release date:	2015-10-28
Identifier:	N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide

XEB

XEB
Name:	7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
Formula:	C18 H18 Cl N3 O
SMILES:	CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl
InChi:	InChI=1S/C18H18ClN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)
Definition date:	2015-08-21
Last modified:	2015-10-23
Release date:	2015-10-28
Identifier:	7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine

TUE

TUE
Name:	7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine
Formula:	C17 H16 N4 O
SMILES:	Nc1ccc2ccc(COc3cncc(CN=C)c3)cc2n1
InChi:	InChI=1S/C17H16N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10H,1,8,11H2,(H2,18,21)
Definition date:	2015-08-21
Last modified:	2015-10-23
Release date:	2015-10-28
Identifier:	7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine

8VJ

8VJ
Name:	7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine
Formula:	C19 H21 N3 O
SMILES:	CN(C)Cc1ccc(OCc2ccc3ccc(N)nc3c2)cc1
InChi:	InChI=1S/C19H21N3O/c1-22(2)12-14-4-8-17(9-5-14)23-13-15-3-6-16-7-10-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
Definition date:	2015-08-20
Last modified:	2015-10-23
Release date:	2015-10-28
Identifier:	7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine

9M9

9M9
Name:	7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine
Formula:	C17 H17 N3 O
SMILES:	NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChi:	InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)
Definition date:	2015-08-21
Last modified:	2015-10-23
Release date:	2015-10-28
Identifier:	7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine

3OT

3OT
Name:	2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one
Formula:	C29 H31 N3 O3
SMILES:	O=C1C=CC=C(C=C1OC)c2cc3nc(n(c3cc2)CCN4CCOCC4)CCc5ccccc5
InChi:	InChI=1S/C29H31N3O3/c1-34-28-21-23(8-5-9-27(28)33)24-11-12-26-25(20-24)30-29(13-10-22-6-3-2-4-7-22)32(26)15-14-31-16-18-35-19-17-31/h2-9,11-12,20-21H,10,13-19H2,1H3
Definition date:	2014-09-30
Last modified:	2015-10-23
Release date:	2015-10-28
Identifier:	2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one

M94

M94
Name:	7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine
Formula:	C19 H21 N3 O
SMILES:	CNCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChi:	InChI=1S/C19H21N3O/c1-21-10-9-14-3-2-4-17(11-14)23-13-15-5-6-16-7-8-19(20)22-18(16)12-15/h2-8,11-12,21H,9-10,13H2,1H3,(H2,20,22)
Definition date:	2015-08-20
Last modified:	2015-10-23
Release date:	2015-10-28
Identifier:	7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine

M85

M85
Name:	7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
Formula:	C18 H19 N3 O
SMILES:	CNCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChi:	InChI=1S/C18H19N3O/c1-20-11-13-3-2-4-16(9-13)22-12-14-5-6-15-7-8-18(19)21-17(15)10-14/h2-10,20H,11-12H2,1H3,(H2,19,21)
Definition date:	2015-08-21
Last modified:	2015-10-23
Release date:	2015-10-28
Identifier:	7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine

5L0

5L0
Name:	1-[1-(imidazo[1,2-a]pyridin-5-yl)-7-(morpholin-4-yl)indolizin-3-yl]ethanone
Formula:	C21 H20 N4 O2
SMILES:	C1COCCN1c2ccn3c(c2)c(cc3C(=O)C)c5n4ccnc4ccc5
InChi:	InChI=1S/C21H20N4O2/c1-15(26)19-14-17(18-3-2-4-21-22-6-8-25(18)21)20-13-16(5-7-24(19)20)23-9-11-27-12-10-23/h2-8,13-14H,9-12H2,1H3
Definition date:	2015-10-15
Last modified:	2015-10-23
Release date:	2015-10-28
Identifier:	1-[1-(imidazo[1,2-a]pyridin-5-yl)-7-(morpholin-4-yl)indolizin-3-yl]ethanone

6M8

6M8
Name:	7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine
Formula:	C20 H23 N3 O
SMILES:	CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChi:	InChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
Definition date:	2015-08-20
Last modified:	2015-10-23
Release date:	2015-10-28
Identifier:	7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine

2SN

2SN
Name:	7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine
Formula:	C19 H22 N4
SMILES:	CN(C)Cc1cccc(NCc2ccc3ccc(N)nc3c2)c1
InChi:	InChI=1S/C19H22N4/c1-23(2)13-15-4-3-5-17(10-15)21-12-14-6-7-16-8-9-19(20)22-18(16)11-14/h3-11,21H,12-13H2,1-2H3,(H2,20,22)
Definition date:	2015-08-20
Last modified:	2015-10-23
Release date:	2015-10-28
Identifier:	7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine

7M3

7M3
Name:	7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine
Formula:	C19 H21 N3 O
SMILES:	CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChi:	InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
Definition date:	2015-08-20
Last modified:	2015-10-23
Release date:	2015-10-28
Identifier:	7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine

XYW

XYW
Name:	2,6-bis(fluoranyl)-N-[3-[5-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
Formula:	C30 H26 F2 N6 O5 S3
SMILES:	C[S](=O)(=O)c1cccc(Nc2nccc(n2)c3sc(nc3c4cccc(N[S](=O)(=O)c5c(F)cccc5F)c4)N6CCOCC6)c1
InChi:	InChI=1S/C30H26F2N6O5S3/c1-45(39,40)22-8-3-6-20(18-22)34-29-33-12-11-25(35-29)27-26(36-30(44-27)38-13-15-43-16-14-38)19-5-2-7-21(17-19)37-46(41,42)28-23(31)9-4-10-24(28)32/h2-12,17-18,37H,13-16H2,1H3,(H,33,34,35)
Definition date:	2015-09-24
Last modified:	2015-10-16
Release date:	2015-10-21
Identifier:	2,6-bis(fluoranyl)-N-[3-[5-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide

4MG

4MG
Name:	1-[(3-methyl-1-{2-[(1,2,3-trimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol
Formula:	C23 H27 N7 O
SMILES:	n1c(nc(cc1)n2nc(c(c2)CN3CC(O)C3)C)Nc5cc4c(c(n(c4cc5)C)C)C
InChi:	InChI=1S/C23H27N7O/c1-14-16(3)28(4)21-6-5-18(9-20(14)21)25-23-24-8-7-22(26-23)30-11-17(15(2)27-30)10-29-12-19(31)13-29/h5-9,11,19,31H,10,12-13H2,1-4H3,(H,24,25,26)
Definition date:	2014-11-18
Last modified:	2015-10-16
Release date:	2015-10-21
Identifier:	1-[(3-methyl-1-{2-[(1,2,3-trimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol

5KH

5KH
Name:	N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide
Formula:	C25 H19 F3 N2 O3
SMILES:	c1cc(C(F)(F)F)cc(c1)C(N(c2cn(C(C)=O)c3c2cccc3)c4cc(ccc4C)O)=O
InChi:	InChI=1S/C25H19F3N2O3/c1-15-10-11-19(32)13-22(15)30(24(33)17-6-5-7-18(12-17)25(26,27)28)23-14-29(16(2)31)21-9-4-3-8-20(21)23/h3-14,32H,1-2H3
Definition date:	2015-10-12
Last modified:	2015-10-16
Release date:	2015-10-21
Identifier:	N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide

DGV

DGV
Name:	1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide
Formula:	C26 H33 Cl2 N3 O
SMILES:	Clc1cccc(Cl)c1C2CCN(CC2)CCCNC(=O)C3CCCN3Cc4ccccc4
InChi:	InChI=1S/C26H33Cl2N3O/c27-22-9-4-10-23(28)25(22)21-12-17-30(18-13-21)15-6-14-29-26(32)24-11-5-16-31(24)19-20-7-2-1-3-8-20/h1-4,7-10,21,24H,5-6,11-19H2,(H,29,32)/t24-/m1/s1
Definition date:	2015-09-11
Last modified:	2015-10-16
Release date:	2015-10-21
Identifier:	1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide

JCF

JCF
Name:	8-hydroxy-2-methylquinoline-6-carboxamide
Formula:	C11 H10 N2 O2
SMILES:	O=C(c1cc(O)c2nc(ccc2c1)C)N
InChi:	InChI=1S/C11H10N2O2/c1-6-2-3-7-4-8(11(12)15)5-9(14)10(7)13-6/h2-5,14H,1H3,(H2,12,15)
Definition date:	2014-12-04
Last modified:	2015-10-09
Release date:	2015-10-14
Identifier:	8-hydroxy-2-methylquinoline-6-carboxamide

I6G

I6G
Name:	8-methoxy-2,3-dimethylquinoxalin-5-ol
Formula:	C11 H12 N2 O2
SMILES:	n1c2c(O)ccc(OC)c2nc(c1C)C
InChi:	InChI=1S/C11H12N2O2/c1-6-7(2)13-11-9(15-3)5-4-8(14)10(11)12-6/h4-5,14H,1-3H3
Definition date:	2014-12-04
Last modified:	2015-10-09
Release date:	2015-10-14
Identifier:	8-methoxy-2,3-dimethylquinoxalin-5-ol

57Z

57Z
Name:	1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea
Formula:	C21 H23 N3 O3 S
SMILES:	O=C2Nc1c(C)cc(cc1C=C2CN(CCO)C(=S)Nc3ccc(cc3)O)C
InChi:	InChI=1S/C21H23N3O3S/c1-13-9-14(2)19-15(10-13)11-16(20(27)23-19)12-24(7-8-25)21(28)22-17-3-5-18(26)6-4-17/h3-6,9-11,25-26H,7-8,12H2,1-2H3,(H,22,28)(H,23,27)
Definition date:	2015-08-18
Last modified:	2015-10-09
Release date:	2015-10-14
Identifier:	1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea

5B8

5B8
Name:	(1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S,3R)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate
Formula:	C39 H56 N2 O8
SMILES:	C1CCCCC1C(C(N2C(CCCC2)C(=O)OC(CCc3cc(c(cc3)OC)OC)c4cc(ccc4)OCCN5CCOCC5)=O)C(C)O
InChi:	InChI=1S/C39H56N2O8/c1-28(42)37(30-10-5-4-6-11-30)38(43)41-19-8-7-14-33(41)39(44)49-34(17-15-29-16-18-35(45-2)36(26-29)46-3)31-12-9-13-32(27-31)48-25-22-40-20-23-47-24-21-40/h9,12-13,16,18,26-28,30,33-34,37,42H,4-8,10-11,14-15,17,19-25H2,1-3H3/t28-,33+,34-,37-/m1/s1
Definition date:	2015-09-01
Last modified:	2015-10-09
Release date:	2015-10-14
Identifier:	(1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S,3R)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate

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