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5JA

5JA
Name:	(5R)-N-(1-{2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl}-1H-pyrazol-3-yl)-5,8-dimethyl-9-phenyl-6,8-dihydro-5H-pyrazolo[3,4-h]quinazolin-2-amine
Formula:	C29 H37 N9 O
SMILES:	n1c4c6c(CC(c4cnc1Nc3ccn(CCN2CCN(CC2)CCOC)n3)C)nn(c6c5ccccc5)C
InChi:	InChI=1S/C29H37N9O/c1-21-19-24-26(28(35(2)33-24)22-7-5-4-6-8-22)27-23(21)20-30-29(32-27)31-25-9-10-38(34-25)16-15-36-11-13-37(14-12-36)17-18-39-3/h4-10,20-21H,11-19H2,1-3H3,(H,30,31,32,34)/t21-/m1/s1
Definition date:	2015-09-30
Last modified:	2015-10-09
Release date:	2015-10-14
Identifier:	(5R)-N-(1-{2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl}-1H-pyrazol-3-yl)-5,8-dimethyl-9-phenyl-6,8-dihydro-5H-pyrazolo[3,4-h]quinazolin-2-amine

4XU

4XU
Name:	6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(quinolin-2-yl)propoxy]pyrimidin-4-amine
Formula:	C23 H24 Cl N5 O S
SMILES:	c3(c(c(Cl)nc(OCCCc2ccc1c(cccc1)n2)n3)C)NCc4c(C)nc(C)s4
InChi:	InChI=1S/C23H24ClN5OS/c1-14-21(24)28-23(29-22(14)25-13-20-15(2)26-16(3)31-20)30-12-6-8-18-11-10-17-7-4-5-9-19(17)27-18/h4-5,7,9-11H,6,8,12-13H2,1-3H3,(H,25,28,29)
Definition date:	2015-06-18
Last modified:	2015-10-02
Release date:	2015-10-07
Identifier:	6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(quinolin-2-yl)propoxy]pyrimidin-4-amine

5BL

5BL
Name:	8-(naphthalen-1-yl)-6-(1H-pyrrol-2-yl)quinoline-2-carboxylic acid
Formula:	C24 H16 N2 O2
SMILES:	c1cc(nc1)c2cc(c3c(c2)ccc(n3)C(=O)O)c5cccc4c5cccc4
InChi:	InChI=1S/C24H16N2O2/c27-24(28)22-11-10-16-13-17(21-9-4-12-25-21)14-20(23(16)26-22)19-8-3-6-15-5-1-2-7-18(15)19/h1-14,25H,(H,27,28)
Definition date:	2015-09-02
Last modified:	2015-10-02
Release date:	2015-10-07
Identifier:	8-(naphthalen-1-yl)-6-(1H-pyrrol-2-yl)quinoline-2-carboxylic acid

QHC

QHC
Name:	N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
Formula:	C18 H18 Cl F N2 O
SMILES:	c1(cc(ccc1Cl)c2cncc3c2CCCC3NC(CC)=O)F
InChi:	InChI=1S/C18H18ClFN2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23)/t17-/m1/s1
Definition date:	2015-04-24
Last modified:	2015-10-02
Release date:	2015-10-07
Identifier:	N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide

4DJ

4DJ
Name:	3-(1H-indazol-4-yl{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol
Formula:	C22 H22 N8 O
SMILES:	Cn1c2c(cn1)cc(cc2)Nc3nccc(n3)N(CCCO)c4c5c(ccc4)nnc5
InChi:	InChI=1S/C22H22N8O/c1-29-19-7-6-16(12-15(19)13-25-29)26-22-23-9-8-21(27-22)30(10-3-11-31)20-5-2-4-18-17(20)14-24-28-18/h2,4-9,12-14,31H,3,10-11H2,1H3,(H,24,28)(H,23,26,27)
Definition date:	2015-03-04
Last modified:	2015-09-25
Release date:	2015-09-30
Identifier:	3-(1H-indazol-4-yl{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol

59Y

59Y
Name:	8-(naphthalen-1-yl)quinoline-2-carboxylic acid
Formula:	C20 H13 N O2
SMILES:	c1(cccc2ccc(nc12)C(=O)O)c4c3c(cccc3)ccc4
InChi:	InChI=1S/C20H13NO2/c22-20(23)18-12-11-14-7-4-10-17(19(14)21-18)16-9-3-6-13-5-1-2-8-15(13)16/h1-12H,(H,22,23)
Definition date:	2015-08-28
Last modified:	2015-09-25
Release date:	2015-09-30
Identifier:	8-(naphthalen-1-yl)quinoline-2-carboxylic acid

4CV

4CV
Name:	3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide
Formula:	C17 H19 Br N6 O3 S
SMILES:	c2(N1CCOCC1)ccc(S(NC)(=O)=O)cc2Nc4c3c(Br)cnc3ncn4
InChi:	InChI=1S/C17H19BrN6O3S/c1-19-28(25,26)11-2-3-14(24-4-6-27-7-5-24)13(8-11)23-17-15-12(18)9-20-16(15)21-10-22-17/h2-3,8-10,19H,4-7H2,1H3,(H2,20,21,22,23)
Definition date:	2015-02-28
Last modified:	2015-09-18
Release date:	2015-09-23
Identifier:	3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide

IDQ

IDQ
Name:	1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine
Formula:	C22 H25 N5
SMILES:	CCCCc1nc2c(N)nc3ccccc3c2n1Cc4ccc(CN)cc4
InChi:	InChI=1S/C22H25N5/c1-2-3-8-19-26-20-21(17-6-4-5-7-18(17)25-22(20)24)27(19)14-16-11-9-15(13-23)10-12-16/h4-7,9-12H,2-3,8,13-14,23H2,1H3,(H2,24,25)
Definition date:	2015-07-07
Last modified:	2015-09-18
Release date:	2015-09-23
Identifier:	1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine

4UQ

4UQ
Name:	6-{(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide
Formula:	C33 H40 N6 O4
SMILES:	c1(ccc(cc1)Nc4nc(N2CC(CCC2)NC(c3ccc(cc3)C(C)(C)C)=O)ccc4C(N)=O)C(=O)N5CCOCC5
InChi:	InChI=1S/C33H40N6O4/c1-33(2,3)24-10-6-22(7-11-24)31(41)36-26-5-4-16-39(21-26)28-15-14-27(29(34)40)30(37-28)35-25-12-8-23(9-13-25)32(42)38-17-19-43-20-18-38/h6-15,26H,4-5,16-21H2,1-3H3,(H2,34,40)(H,35,37)(H,36,41)/t26-/m1/s1
Definition date:	2015-06-01
Last modified:	2015-09-18
Release date:	2015-09-23
Identifier:	6-{(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide

M0A

M0A
Name:	1-[[3-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine
Formula:	C22 H25 N5
SMILES:	CCCCc1nc2c(N)nc3ccccc3c2n1Cc4cccc(CN)c4
InChi:	InChI=1S/C22H25N5/c1-2-3-11-19-26-20-21(17-9-4-5-10-18(17)25-22(20)24)27(19)14-16-8-6-7-15(12-16)13-23/h4-10,12H,2-3,11,13-14,23H2,1H3,(H2,24,25)
Definition date:	2015-07-07
Last modified:	2015-09-18
Release date:	2015-09-23
Identifier:	1-[[3-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine

C1I

C1I
Name:	CORTISTATIN A
Formula:	C30 H36 N2 O3
SMILES:	OC5C4=CC7=CCC3(C(c2cc1cnccc1cc2)CCC3C76OC4(CC(N(C)C)C5O)CC6)C
InChi:	InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1
Definition date:	2014-02-27
Last modified:	2015-09-18
Release date:	2015-09-23
Identifier:	(1R,2R,3S,5R,17alpha)-3-(dimethylamino)-17-(isoquinolin-7-yl)-5,8-epoxy-9,19-cyclo-9,10-secoandrosta-9(11),10-diene-1,2-diol

4K2

4K2
Name:	quinolin-8-yl piperidine-1-carboxylate
Formula:	C15 H16 N2 O2
SMILES:	c2cc1cccnc1c(c2)OC(=O)N3CCCCC3
InChi:	InChI=1S/C15H16N2O2/c18-15(17-10-2-1-3-11-17)19-13-8-4-6-12-7-5-9-16-14(12)13/h4-9H,1-3,10-11H2
Definition date:	2015-03-25
Last modified:	2015-09-11
Release date:	2015-09-16
Identifier:	quinolin-8-yl piperidine-1-carboxylate

OKO

OKO
Name:	N-[5-[4-(5-{[(2R,6S)-2,6-DIMETHYL-4-MORPHOLINYL]METHYL}-1,3-OXAZOL-2-YL)-1H-INDAZOL-6-YL]-2-(METHYLOXY)-3-PYRIDINYL]METHANESULFONAMIDE
Formula:	C24 H28 N6 O5 S
SMILES:	COc1ncc(cc1N[S](C)(=O)=O)c2cc3[nH]ncc3c(c2)c4oc(CN5C[CH](C)O[CH](C)C5)cn4
InChi:	InChI=1S/C24H28N6O5S/c1-14-11-30(12-15(2)34-14)13-18-9-26-23(35-18)19-5-16(6-21-20(19)10-27-28-21)17-7-22(29-36(4,31)32)24(33-3)25-8-17/h5-10,14-15,29H,11-13H2,1-4H3,(H,27,28)/t14-,15+
Definition date:	2015-08-26
Last modified:	2015-09-11
Release date:	2015-09-16
Identifier:	N-[5-[4-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide

53G

53G
Name:	N,N-dimethylquinoxaline-6-carboxamide
Formula:	C11 H11 N3 O
SMILES:	n1ccnc2ccc(cc12)C(=O)N(C)C
InChi:	InChI=1S/C11H11N3O/c1-14(2)11(15)8-3-4-9-10(7-8)13-6-5-12-9/h3-7H,1-2H3
Definition date:	2015-07-21
Last modified:	2015-09-04
Release date:	2015-09-09
Identifier:	N,N-dimethylquinoxaline-6-carboxamide

4JV

4JV
Name:	5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine
Formula:	C16 H16 N4 O
SMILES:	c1cc(c2c(N)nc(N)nc2c1)OCc3ccc(cc3)C
InChi:	InChI=1S/C16H16N4O/c1-10-5-7-11(8-6-10)9-21-13-4-2-3-12-14(13)15(17)20-16(18)19-12/h2-8H,9H2,1H3,(H4,17,18,19,20)
Definition date:	2015-03-24
Last modified:	2015-09-04
Release date:	2015-09-09
Identifier:	5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine

44O

44O
Name:	[(2S,6R)-6-(6-amino-9H-purin-9-yl)morpholin-2-yl]methyl {5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamate
Formula:	C20 H29 N9 O6 S2
SMILES:	O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)OCC5OC(n3c4ncnc(N)c4nc3)CNC5
InChi:	InChI=1S/C20H29N9O6S2/c21-18-17-19(24-9-23-18)29(10-25-17)15-6-22-5-11(35-15)7-34-37(32,33)28-14(30)4-2-1-3-13-16-12(8-36-13)26-20(31)27-16/h9-13,15-16,22H,1-8H2,(H,28,30)(H2,21,23,24)(H2,26,27,31)/t11-,12-,13-,15+,16-/m0/s1
Definition date:	2015-02-04
Last modified:	2015-08-28
Release date:	2015-09-02
Identifier:	[(2S,6R)-6-(6-amino-9H-purin-9-yl)morpholin-2-yl]methyl {5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamate

CX3

CX3
Name:	[2-(3-{bis[2-(amino-kappaN)ethyl]amino-kappaN}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dionato(2-)]platinum(1+)
Formula:	C19 H22 N4 O2 Pt
SMILES:	O=C3c1c2c(ccc1)cccc2C(=O)N3CCC[N+]45[Pt](NCC4)NCC5
InChi:	InChI=1S/C19H22N4O2.Pt/c20-8-12-22(13-9-21)10-3-11-23-18(24)15-6-1-4-14-5-2-7-16(17(14)15)19(23)25
Definition date:	2014-11-21
Last modified:	2015-08-28
Release date:	2015-09-02
Identifier:	[2-(3-{bis[2-(amino-kappaN)ethyl]amino-kappaN}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dionato(2-)]platinum(1+)

CX8

CX8
Name:	[2-{3-[(2-{[2-(amino-kappaN)ethyl]amino-kappaN}ethyl)amino-kappaN]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dionato(3-)]platinum
Formula:	C19 H21 N4 O2 Pt
SMILES:	O=C3c1c2c(ccc1)cccc2C(=O)N3CCCN5[Pt]4NCCN4CC5
InChi:	InChI=1S/C19H21N4O2.Pt/c20-8-10-22-12-11-21-9-3-13-23-18(24)15-6-1-4-14-5-2-7-16(17(14)15)19(23)25
Definition date:	2014-12-05
Last modified:	2015-08-28
Release date:	2015-09-02
Identifier:	[2-{3-[(2-{[2-(amino-kappaN)ethyl]amino-kappaN}ethyl)amino-kappaN]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dionato(3-)]platinum

4S3

4S3
Name:	5-(1,3-benzothiazol-2-yl)-2-(morpholin-4-yl)-6-[(3R)-piperidin-3-ylamino]pyrimidin-4(3H)-one
Formula:	C20 H24 N6 O2 S
SMILES:	C=2(N=C(N1CCOCC1)NC(C=2c3sc4c(n3)cccc4)=O)NC5CNCCC5
InChi:	InChI=1S/C20H24N6O2S/c27-18-16(19-23-14-5-1-2-6-15(14)29-19)17(22-13-4-3-7-21-12-13)24-20(25-18)26-8-10-28-11-9-26/h1-2,5-6,13,21H,3-4,7-12H2,(H2,22,24,25,27)/t13-/m1/s1
Definition date:	2015-05-17
Last modified:	2015-08-28
Release date:	2015-09-02
Identifier:	5-(1,3-benzothiazol-2-yl)-2-(morpholin-4-yl)-6-[(3R)-piperidin-3-ylamino]pyrimidin-4(3H)-one

HB2

HB2
Name:	1-(4-amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
Formula:	C18 H24 N4 O
SMILES:	n3c1ccccc1c2c(nc(n2CC(O)(C)C)CCCC)c3N
InChi:	InChI=1S/C18H24N4O/c1-4-5-10-14-21-15-16(22(14)11-18(2,3)23)12-8-6-7-9-13(12)20-17(15)19/h6-9,23H,4-5,10-11H2,1-3H3,(H2,19,20)
Definition date:	2014-08-27
Last modified:	2015-08-21
Release date:	2015-08-26
Identifier:	1-(4-amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol

41Z

41Z
Name:	4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide
Formula:	C20 H21 N3 O
SMILES:	O=C(c1cccc2c(cc(nc12)C)NCc3c(cccc3C)C)N
InChi:	InChI=1S/C20H21N3O/c1-12-6-4-7-13(2)17(12)11-22-18-10-14(3)23-19-15(18)8-5-9-16(19)20(21)24/h4-10H,11H2,1-3H3,(H2,21,24)(H,22,23)
Definition date:	2015-01-17
Last modified:	2015-08-21
Release date:	2015-08-26
Identifier:	4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide

N6L

N6L
Name:	D-phenylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide
Formula:	C21 H23 Cl2 N3 O2
SMILES:	O=C(NCc1cc(Cl)ccc1Cl)C3N(C(=O)C(N)Cc2ccccc2)CCC3
InChi:	InChI=1S/C21H23Cl2N3O2/c22-16-8-9-17(23)15(12-16)13-25-20(27)19-7-4-10-26(19)21(28)18(24)11-14-5-2-1-3-6-14/h1-3,5-6,8-9,12,18-19H,4,7,10-11,13,24H2,(H,25,27)/t18-,19+/m1/s1
Definition date:	2014-12-12
Last modified:	2015-08-21
Release date:	2015-08-26
Identifier:	D-phenylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide

4K9

4K9
Name:	4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)benzenesulfonamide
Formula:	C16 H16 N2 O3 S
SMILES:	c1cccc3c1N(C(c2ccc(S(=O)(=O)N)cc2)=O)CCC3
InChi:	InChI=1S/C16H16N2O3S/c17-22(20,21)14-9-7-13(8-10-14)16(19)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2,(H2,17,20,21)
Definition date:	2015-03-27
Last modified:	2015-08-21
Release date:	2015-08-26
Identifier:	4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)benzenesulfonamide

4KB

4KB
Name:	4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]benzenesulfonamide
Formula:	C16 H16 N2 O5 S
SMILES:	c1c(c(cc3c1CN(C(c2ccc(cc2)S(=O)(N)=O)=O)CC3)O)O
InChi:	InChI=1S/C16H16N2O5S/c17-24(22,23)13-3-1-10(2-4-13)16(21)18-6-5-11-7-14(19)15(20)8-12(11)9-18/h1-4,7-8,19-20H,5-6,9H2,(H2,17,22,23)
Definition date:	2015-03-27
Last modified:	2015-08-21
Release date:	2015-08-26
Identifier:	4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]benzenesulfonamide

4KC

4KC
Name:	4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)benzenesulfonamide
Formula:	C16 H16 N2 O3 S
SMILES:	c1cccc3c1CN(C(c2ccc(cc2)S(=O)(=O)N)=O)CC3
InChi:	InChI=1S/C16H16N2O3S/c17-22(20,21)15-7-5-13(6-8-15)16(19)18-10-9-12-3-1-2-4-14(12)11-18/h1-8H,9-11H2,(H2,17,20,21)
Definition date:	2015-03-27
Last modified:	2015-08-21
Release date:	2015-08-26
Identifier:	4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)benzenesulfonamide

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