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5F7

5F7
Name:	N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine
Formula:	C17 H14 Cl2 N2 O
SMILES:	c1cc(OC)c2c(n1)ccc(c2)N(c3c(Cl)cccc3Cl)C
InChi:	InChI=1S/C17H14Cl2N2O/c1-21(17-13(18)4-3-5-14(17)19)11-6-7-15-12(10-11)16(22-2)8-9-20-15/h3-10H,1-2H3
Definition date:	2015-09-18
Last modified:	2016-06-10
Release date:	2016-06-15
Identifier:	N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine

6E2

6E2
Name:	2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide
Formula:	C23 H28 N8 O4
SMILES:	COc1c(OCCCN2CCOCC2)ccc3C4=NCCN4C(=Nc13)NC(=O)c5cnc(N)nc5
InChi:	InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32)
Definition date:	2016-04-12
Last modified:	2016-06-07
Release date:	2016-04-20
Identifier:	2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide

5SB

5SB
Name:	~{N}-[5-(1~{H}-pyrazol-4-yl)quinolin-8-yl]ethanamide
Formula:	C14 H12 N4 O
SMILES:	CC(=O)Nc1ccc(c2c[nH]nc2)c3cccnc13
InChi:	InChI=1S/C14H12N4O/c1-9(19)18-13-5-4-11(10-7-16-17-8-10)12-3-2-6-15-14(12)13/h2-8H,1H3,(H,16,17)(H,18,19)
Definition date:	2015-11-20
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	~{N}-[5-(1~{H}-pyrazol-4-yl)quinolin-8-yl]ethanamide

5WR

5WR
Name:	(4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide
Formula:	C28 H31 F3 N6 O
SMILES:	C[CH]1CN(Cc2cc(ccc12)C(=O)Nc3cc(CN4CCN(C)CC4)cc(c3)C(F)(F)F)c5cncnc5
InChi:	InChI=1S/C28H31F3N6O/c1-19-15-37(25-13-32-18-33-14-25)17-22-11-21(3-4-26(19)22)27(38)34-24-10-20(9-23(12-24)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,9-14,18-19H,5-8,15-17H2,1-2H3,(H,34,38)/t19-/m1/s1
Definition date:	2015-12-17
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	(4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide

2H4

2H4
Name:	(1S)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Formula:	C16 H17 N O4
SMILES:	Oc1ccc(cc1O)CC3c2c(cc(O)c(O)c2)CCN3
InChi:	InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/t12-/m0/s1
Definition date:	2014-03-27
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	(1S)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol

YLG

YLG
Name:	(1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline
Formula:	C10 H13 N
SMILES:	C[CH]1NCCc2ccccc12
InChi:	InChI=1S/C10H13N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-5,8,11H,6-7H2,1H3/t8-/m1/s1
Definition date:	2015-07-22
Last modified:	2016-05-27
Release date:	2016-06-01
Identifier:	(1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline

5XK

5XK
Name:	6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one
Formula:	C17 H19 Cl N2 O
SMILES:	CCC(CC)Cc1ccn2c1NC(=O)c3c(Cl)cccc23
InChi:	InChI=1S/C17H19ClN2O/c1-3-11(4-2)10-12-8-9-20-14-7-5-6-13(18)15(14)17(21)19-16(12)20/h5-9,11H,3-4,10H2,1-2H3,(H,19,21)
Definition date:	2015-12-22
Last modified:	2016-05-27
Release date:	2016-06-01
Identifier:	6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one

5XL

5XL
Name:	6-chloranyl-3-[(dimethylamino)methyl]-4~{H}-pyrrolo[1,2-a]quinazolin-5-one
Formula:	C14 H14 Cl N3 O
SMILES:	CN(C)Cc1ccn2c1NC(=O)c3c(Cl)cccc23
InChi:	InChI=1S/C14H14ClN3O/c1-17(2)8-9-6-7-18-11-5-3-4-10(15)12(11)14(19)16-13(9)18/h3-7H,8H2,1-2H3,(H,16,19)
Definition date:	2015-12-22
Last modified:	2016-05-27
Release date:	2016-06-01
Identifier:	6-chloranyl-3-[(dimethylamino)methyl]-4~{H}-pyrrolo[1,2-a]quinazolin-5-one

5XM

5XM
Name:	(3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one
Formula:	C17 H21 N3 O
SMILES:	O=C1N=C2[CH](CCN2c3ccccc13)CN4CCCCC4
InChi:	InChI=1S/C17H21N3O/c21-17-14-6-2-3-7-15(14)20-11-8-13(16(20)18-17)12-19-9-4-1-5-10-19/h2-3,6-7,13H,1,4-5,8-12H2/t13-/m1/s1
Definition date:	2015-12-22
Last modified:	2016-05-27
Release date:	2016-06-01
Identifier:	(3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one

5D1

5D1
Name:	N-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
Formula:	C28 H35 N3 O3
SMILES:	Cc1cc(ccc1)CN2CCC(CC2)CNC(=O)CCCOC=4c3ccccc3N(C(C=4)=O)C
InChi:	InChI=1S/C28H35N3O3/c1-21-7-5-8-23(17-21)20-31-14-12-22(13-15-31)19-29-27(32)11-6-16-34-26-18-28(33)30(2)25-10-4-3-9-24(25)26/h3-5,7-10,17-18,22H,6,11-16,19-20H2,1-2H3,(H,29,32)
Definition date:	2015-09-07
Last modified:	2016-05-27
Release date:	2016-06-01
Identifier:	N-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide

4YO

4YO
Name:	6-bromo-3,4-dihydroquinoxalin-2(1H)-one
Formula:	C8 H7 Br N2 O
SMILES:	O=C2CNc1cc(Br)ccc1N2
InChi:	InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-3,10H,4H2,(H,11,12)
Definition date:	2015-06-25
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	6-bromo-3,4-dihydroquinoxalin-2(1H)-one

4YS

4YS
Name:	isoquinolin-1(2H)-one
Formula:	C9 H7 N O
SMILES:	c1cccc2c1C=CNC2=O
InChi:	InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
Definition date:	2015-06-26
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	isoquinolin-1(2H)-one

5QX

5QX
Name:	1-methyl-3,4-dihydroquinoxalin-2-one
Formula:	C9 H10 N2 O
SMILES:	CN1C(=O)CNc2ccccc12
InChi:	InChI=1S/C9H10N2O/c1-11-8-5-3-2-4-7(8)10-6-9(11)12/h2-5,10H,6H2,1H3
Definition date:	2015-11-12
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	1-methyl-3,4-dihydroquinoxalin-2-one

5QY

5QY
Name:	(3~{S})-3-methyl-3,4-dihydro-1~{H}-quinoxalin-2-one
Formula:	C9 H10 N2 O
SMILES:	C[CH]1Nc2ccccc2NC1=O
InChi:	InChI=1S/C9H10N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-6,10H,1H3,(H,11,12)/t6-/m0/s1
Definition date:	2015-11-12
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(3~{S})-3-methyl-3,4-dihydro-1~{H}-quinoxalin-2-one

5SJ

5SJ
Name:	ethyl (2~{R})-2-methyl-3-oxidanylidene-2,4-dihydro-1~{H}-quinoxaline-6-carboxylate
Formula:	C12 H14 N2 O3
SMILES:	CCOC(=O)c1ccc2N[CH](C)C(=O)Nc2c1
InChi:	InChI=1S/C12H14N2O3/c1-3-17-12(16)8-4-5-9-10(6-8)14-11(15)7(2)13-9/h4-7,13H,3H2,1-2H3,(H,14,15)/t7-/m1/s1
Definition date:	2015-11-21
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	ethyl (2~{R})-2-methyl-3-oxidanylidene-2,4-dihydro-1~{H}-quinoxaline-6-carboxylate

5UY

5UY
Name:	methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2~{R})-morpholin-2-yl]methylamino]pyridine-3-carboxylate
Formula:	C17 H19 N7 O3
SMILES:	COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NC[CH]3CNCCO3
InChi:	InChI=1S/C17H19N7O3/c1-26-17(25)13-9-23-15(24-16-10-20-11(5-18)6-22-16)4-14(13)21-8-12-7-19-2-3-27-12/h4,6,9-10,12,19H,2-3,7-8H2,1H3,(H2,21,22,23,24)/t12-/m1/s1
Definition date:	2015-12-04
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2~{R})-morpholin-2-yl]methylamino]pyridine-3-carboxylate

6EJ

6EJ
Name:	(1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
Formula:	C24 H26 F N5 O3
SMILES:	c6c1c2c(C(CN2C(C=C1)=O)CN3CCC(CC3)NCc5cc4OCCOc4nn5)c(c6)F
InChi:	InChI=1S/C24H26FN5O3/c25-19-3-1-15-2-4-21(31)30-14-16(22(19)23(15)30)13-29-7-5-17(6-8-29)26-12-18-11-20-24(28-27-18)33-10-9-32-20/h1-4,11,16-17,26H,5-10,12-14H2/t16-/m1/s1
Definition date:	2016-03-23
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one

6GN

6GN
Name:	1-(17-amino-5,8-dioxo-12,15-dioxa-4,9-diazaheptadecan-1-yl)-4-{[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium
Formula:	C33 H45 N5 O7 S2
SMILES:	C(N)COCCOCCNC(=O)CCC(NCCC[n+]3ccc(Cc2[n+](c1c(cccc1)s2)CCCS(O)(=O)=O)c4c3cccc4)=O
InChi:	InChI=1S/C33H43N5O7S2/c34-14-20-44-22-23-45-21-16-36-32(40)12-11-31(39)35-15-5-17-37-19-13-26(27-7-1-2-8-28(27)37)25-33-38(18-6-24-47(41,42)43)29-9-3-4-10-30(29)46-33/h1-4,7-10,13,19H,5-6,11-12,14-18,20-25,34H2,(H-2,35,36,39,40,41,42,43)/p+2
Definition date:	2016-04-06
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	1-(17-amino-5,8-dioxo-12,15-dioxa-4,9-diazaheptadecan-1-yl)-4-{[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium

5GT

5GT
Name:	7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1H)-one
Formula:	C9 H7 F3 N2 O
SMILES:	FC(F)(F)c1ccc2c(c1)NC(CN2)=O
InChi:	InChI=1S/C9H7F3N2O/c10-9(11,12)5-1-2-6-7(3-5)14-8(15)4-13-6/h1-3,13H,4H2,(H,14,15)
Definition date:	2015-09-24
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1H)-one

5GU

5GU
Name:	7-bromo-3,4-dihydroquinoxalin-2(1H)-one
Formula:	C8 H7 Br N2 O
SMILES:	O=C2CNc1ccc(Br)cc1N2
InChi:	InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3,10H,4H2,(H,11,12)
Definition date:	2015-09-24
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	7-bromo-3,4-dihydroquinoxalin-2(1H)-one

5GV

5GV
Name:	(2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
Formula:	C11 H12 N2 O3
SMILES:	O=C1C(Nc2c(N1)cc(cc2)C(O)=O)CC
InChi:	InChI=1S/C11H12N2O3/c1-2-7-10(14)13-9-5-6(11(15)16)3-4-8(9)12-7/h3-5,7,12H,2H2,1H3,(H,13,14)(H,15,16)/t7-/m1/s1
Definition date:	2015-09-24
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid

6HX

6HX
Name:	2'-chloro-6-methyl[1,1'-biphenyl]-3-amine
Formula:	C13 H12 Cl N
SMILES:	Cc1c(cc(N)cc1)c2ccccc2Cl
InChi:	InChI=1S/C13H12ClN/c1-9-6-7-10(15)8-12(9)11-4-2-3-5-13(11)14/h2-8H,15H2,1H3
Definition date:	2016-04-12
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	2'-chloro-6-methyl[1,1'-biphenyl]-3-amine

OE2

OE2
Name:	PSAMMAPLIN C
Formula:	C11 H14 Br N3 O5 S
SMILES:	N[S](=O)(=O)CCNC(=O)C(Cc1ccc(O)c(Br)c1)=NO
InChi:	InChI=1S/C11H14BrN3O5S/c12-8-5-7(1-2-10(8)16)6-9(15-18)11(17)14-3-4-21(13,19)20/h1-2,5,16,18H,3-4,6H2,(H,14,17)(H2,13,19,20)/b15-9+
Definition date:	2015-06-26
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(2E)-3-(3-bromanyl-4-oxidanyl-phenyl)-2-hydroxyimino-N-(2-sulfamoylethyl)propanamide

4VM

4VM
Name:	1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide
Formula:	C28 H27 F N4 O2
SMILES:	c1ccnc5c1cc(CNC(C2CCN(CC2)c4ccc(c3c(F)ccc(c3)CO)cn4)=O)cc5
InChi:	InChI=1S/C28H27FN4O2/c29-25-6-3-20(18-34)15-24(25)23-5-8-27(31-17-23)33-12-9-21(10-13-33)28(35)32-16-19-4-7-26-22(14-19)2-1-11-30-26/h1-8,11,14-15,17,21,34H,9-10,12-13,16,18H2,(H,32,35)
Definition date:	2015-06-05
Last modified:	2016-05-13
Release date:	2016-05-18
Identifier:	1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide

4Q2

4Q2
Name:	(2S,3R)-N~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide
Formula:	C20 H26 N6 O2 S
SMILES:	C2Cc1nc(sc1c3c2cnc(n3)C(C)(C)C)NC(N4C(C(C)CC4)C(N)=O)=O
InChi:	InChI=1S/C20H26N6O2S/c1-10-7-8-26(14(10)16(21)27)19(28)25-18-23-12-6-5-11-9-22-17(20(2,3)4)24-13(11)15(12)29-18/h9-10,14H,5-8H2,1-4H3,(H2,21,27)(H,23,25,28)/t10-,14+/m1/s1
Definition date:	2015-05-07
Last modified:	2016-05-13
Release date:	2016-05-18
Identifier:	(2S,3R)-N~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide

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