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2ZU

2ZU
Name:	2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline
Formula:	C18 H14 N2 O S
SMILES:	n3c4cc(OCc1nc2c(cc1)cccc2)ccc4sc3C
InChi:	InChI=1S/C18H14N2OS/c1-12-19-17-10-15(8-9-18(17)22-12)21-11-14-7-6-13-4-2-3-5-16(13)20-14/h2-10H,11H2,1H3
Definition date:	2013-09-23
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline

MRW

MRW
Name:	7-chloroquinolin-4-ol
Formula:	C9 H6 Cl N O
SMILES:	Clc1cc2nccc(O)c2cc1
InChi:	InChI=1S/C9H6ClNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5H,(H,11,12)
Definition date:	2013-09-20
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	7-chloroquinolin-4-ol

IQG

IQG
Name:	N-(2-amino-3-methyl-3H-imidazo[4,5-f]quinolin-5-yl)-2'-deoxyguanosine 5'-(dihydrogen phosphate)
Formula:	C21 H22 N9 O7 P
SMILES:	O=P(O)(O)OCC6OC(n5cnc4c5N=C(Nc3c1ncccc1c2nc(N)n(c2c3)C)NC4=O)CC6O
InChi:	InChI=1S/C21H22N9O7P/c1-29-11-5-10(15-9(3-2-4-23-15)16(11)26-20(29)22)25-21-27-18-17(19(32)28-21)24-8-30(18)14-6-12(31)13(37-14)7-36-38(33,34)35/h2-5,8,12-14,31H,6-7H2,1H3,(H2,22,26)(H2,33,34,35)(H2,25,27,28,32)/t12-,13+,14+/m0/s1
Definition date:	2013-11-06
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	N-(2-amino-3-methyl-3H-imidazo[4,5-f]quinolin-5-yl)-2'-deoxyguanosine 5'-(dihydrogen phosphate)

NHG

NHG
Name:	BIS-NORESEROLINE
Formula:	C11 H14 N2 O
SMILES:	Oc1cc2c(cc1)NC3NCCC23C
InChi:	InChI=1S/C11H14N2O/c1-11-4-5-12-10(11)13-9-3-2-7(14)6-8(9)11/h2-3,6,10,12-14H,4-5H2,1H3/t10-,11+/m1/s1
Definition date:	2011-07-24
Last modified:	2014-05-08
Identifier:	(3aS,8aR)-3a-methyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-ol

QNM

QNM
Name:	2-[(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]ethanoic acid
Formula:	C13 H12 N2 O5
SMILES:	O=C(O)CNC(=O)C=2C(=O)c1c(cccc1)N(C=2O)C
InChi:	InChI=1S/C13H12N2O5/c1-15-8-5-3-2-4-7(8)11(18)10(13(15)20)12(19)14-6-9(16)17/h2-5,20H,6H2,1H3,(H,14,19)(H,16,17)
Definition date:	2013-06-03
Last modified:	2014-05-08
Release date:	2013-06-19
Identifier:	N-[(2-hydroxy-1-methyl-4-oxo-1,4-dihydroquinolin-3-yl)carbonyl]glycine

SXI

SXI
Name:	(3S,4aS,6S,8aR)-6-[3-chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid
Formula:	C17 H20 Cl N5 O3
SMILES:	O=C(O)C4NCC3C(CC(Oc1c(c(Cl)ccc1)c2nnnn2)CC3)C4
InChi:	InChI=1S/C17H20ClN5O3/c18-12-2-1-3-14(15(12)16-20-22-23-21-16)26-11-5-4-9-8-19-13(17(24)25)7-10(9)6-11/h1-3,9-11,13,19H,4-8H2,(H,24,25)(H,20,21,22,23)/t9-,10+,11-,13-/m0/s1
Definition date:	2013-09-11
Last modified:	2014-05-02
Release date:	2014-05-07
Identifier:	(3S,4aS,6S,8aR)-6-[3-chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid

28L

28L
Name:	N-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide
Formula:	C27 H29 N3 O5 S
SMILES:	O=C4N=C(OC)CC=C4c3cc(c(OC)c2c3ncc(c1ccc(NS(=O)(=O)C)cc1)c2)C(C)(C)C
InChi:	InChI=1S/C27H29N3O5S/c1-27(2,3)22-14-20(19-11-12-23(34-4)29-26(19)31)24-21(25(22)35-5)13-17(15-28-24)16-7-9-18(10-8-16)30-36(6,32)33/h7-11,13-15,30H,12H2,1-6H3
Definition date:	2013-09-10
Last modified:	2014-05-02
Release date:	2014-05-07
Identifier:	N-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide

28M

28M
Name:	N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide
Formula:	C25 H32 N4 O4 S
SMILES:	O=C1NC=CC=C1c3c2ncc(cc2c(OC)c(c3)C(C)(C)C)N4CCC(C4)CNS(=O)(=O)C
InChi:	InChI=1S/C25H32N4O4S/c1-25(2,3)21-12-19(18-7-6-9-26-24(18)30)22-20(23(21)33-4)11-17(14-27-22)29-10-8-16(15-29)13-28-34(5,31)32/h6-7,9,11-12,14,16,28H,8,10,13,15H2,1-5H3,(H,26,30)/t16-/m1/s1
Definition date:	2013-09-10
Last modified:	2014-05-02
Release date:	2014-05-07
Identifier:	N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide

CYC

CYC
Name:	PHYCOCYANOBILIN
Formula:	C33 H40 N4 O6
SMILES:	CC[CH]1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
InChi:	InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-15,19-20,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/m1/s1
Definition date:	1999-07-08
Last modified:	2014-05-01
Identifier:	(3R,4R)-4-ethyl-3-methyl-5-methylenepyrrolidin-2-one

XWW

XWW
Name:	N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(1-methylimidazol-4-yl)-6-morpholino-1,3,5-triazine-2,4-diamine
Formula:	C17 H21 F N10 O
SMILES:	Fc1cnc(nc1)C(Nc2nc(nc(n2)Nc3ncn(c3)C)N4CCOCC4)C
InChi:	InChI=1S/C17H21FN10O/c1-11(14-19-7-12(18)8-20-14)22-15-24-16(23-13-9-27(2)10-21-13)26-17(25-15)28-3-5-29-6-4-28/h7-11H,3-6H2,1-2H3,(H2,22,23,24,25,26)/t11-/m0/s1
Definition date:	2013-09-17
Last modified:	2014-04-29
Release date:	2014-01-08
Identifier:	N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N'-(1-methyl-1H-imidazol-4-yl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine

QMR

QMR
Name:	VARENICLINE
Formula:	C13 H13 N3
SMILES:	n1c2cc3c(cc2ncc1)C4CNCC3C4
InChi:	InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+
Definition date:	2012-01-19
Last modified:	2014-04-28
Identifier:	(6R,10S)-7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline

L0B

L0B
Name:	Alpha-Lobeline
Formula:	C22 H27 N O2
SMILES:	O=C(c1ccccc1)CC3N(C)C(CC(O)c2ccccc2)CCC3
InChi:	InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1
Definition date:	2012-01-19
Last modified:	2014-04-28
Identifier:	2-{(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl}-1-phenylethanone

M87

M87
Name:	7-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-amine
Formula:	C18 H18 F N3
SMILES:	Fc1cccc(c1)CCNCc2cc3nc(ccc3cc2)N
InChi:	InChI=1S/C18H18FN3/c19-16-3-1-2-13(10-16)8-9-21-12-14-4-5-15-6-7-18(20)22-17(15)11-14/h1-7,10-11,21H,8-9,12H2,(H2,20,22)
Definition date:	2013-10-08
Last modified:	2014-04-28
Release date:	2014-02-19
Identifier:	7-({[2-(3-fluorophenyl)ethyl]amino}methyl)quinolin-2-amine

XBL

XBL
Name:	6-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
Formula:	C19 H17 N5
SMILES:	n1nc2c5c(c(nn2c1C)N4Cc3ccccc3CC4)cccc5
InChi:	InChI=1S/C19H17N5/c1-13-20-21-18-16-8-4-5-9-17(16)19(22-24(13)18)23-11-10-14-6-2-3-7-15(14)12-23/h2-9H,10-12H2,1H3
Definition date:	2014-02-12
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	6-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl[1,2,4]triazolo[3,4-a]phthalazine

1WW

1WW
Name:	{5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid
Formula:	C16 H13 Cl I N O4
SMILES:	O=C(c1c(OCC(=O)O)cc(Cl)cc1)NCc2ccc(I)cc2
InChi:	InChI=1S/C16H13ClINO4/c17-11-3-6-13(14(7-11)23-9-15(20)21)16(22)19-8-10-1-4-12(18)5-2-10/h1-7H,8-9H2,(H,19,22)(H,20,21)
Definition date:	2013-07-16
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	{5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid

2EB

2EB
Name:	1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea
Formula:	C15 H17 Cl I N3 O2 S
SMILES:	O=C(NCCCNCc1cc(Cl)cc(I)c1O)Nc2ccsc2
InChi:	InChI=1S/C15H17ClIN3O2S/c16-11-6-10(14(21)13(17)7-11)8-18-3-1-4-19-15(22)20-12-2-5-23-9-12/h2,5-7,9,18,21H,1,3-4,8H2,(H2,19,20,22)
Definition date:	2013-09-27
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea

2EF

2EF
Name:	1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea
Formula:	C17 H21 Cl I N3 O2 S
SMILES:	O=C(NCCCNCc1cc(Cl)cc(I)c1OCC)Nc2ccsc2
InChi:	InChI=1S/C17H21ClIN3O2S/c1-2-24-16-12(8-13(18)9-15(16)19)10-20-5-3-6-21-17(23)22-14-4-7-25-11-14/h4,7-9,11,20H,2-3,5-6,10H2,1H3,(H2,21,22,23)
Definition date:	2013-09-27
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea

1O9

1O9
Name:	(4S,5R)-1-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-4-pyrazin-2-yl-5-(1,3-thiazol-2-yl)-L-proline
Formula:	C27 H32 N4 O3 S
SMILES:	O=C(O)C4(N(C(=O)c1ccc(cc1)C(C)(C)C)C(c2nccs2)C(c3nccnc3)C4)CC(C)C
InChi:	InChI=1S/C27H32N4O3S/c1-17(2)14-27(25(33)34)15-20(21-16-28-10-11-29-21)22(23-30-12-13-35-23)31(27)24(32)18-6-8-19(9-7-18)26(3,4)5/h6-13,16-17,20,22H,14-15H2,1-5H3,(H,33,34)/t20-,22-,27+/m1/s1
Definition date:	2013-04-08
Last modified:	2014-04-18
Release date:	2014-04-23
Identifier:	(4S,5R)-1-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-4-pyrazin-2-yl-5-(1,3-thiazol-2-yl)-L-proline

CG9

CG9
Name:	6-(1H-indazol-6-yl)-N-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
Formula:	C23 H21 N7 O
SMILES:	n2cc1ccc(cc1n2)c4nc(c3nccn3c4)Nc6ccc(N5CCOCC5)cc6
InChi:	InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)
Definition date:	2014-03-19
Last modified:	2014-04-18
Release date:	2014-04-23
Identifier:	6-(1H-indazol-6-yl)-N-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine

2QT

2QT
Name:	N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-(pyrrolidin-1-yl)acetamide
Formula:	C20 H20 F N5 O
SMILES:	O=C(Nc3cc(c2cc1c(ncnc1cc2)N)cc(F)c3)CN4CCCC4
InChi:	InChI=1S/C20H20FN5O/c21-15-7-14(13-3-4-18-17(9-13)20(22)24-12-23-18)8-16(10-15)25-19(27)11-26-5-1-2-6-26/h3-4,7-10,12H,1-2,5-6,11H2,(H,25,27)(H2,22,23,24)
Definition date:	2014-01-09
Last modified:	2014-04-18
Release date:	2014-04-23
Identifier:	N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-(pyrrolidin-1-yl)acetamide

2QV

2QV
Name:	6-(3-chlorophenyl)quinazolin-4-amine
Formula:	C14 H10 Cl N3
SMILES:	Clc3cccc(c2cc1c(ncnc1N)cc2)c3
InChi:	InChI=1S/C14H10ClN3/c15-11-3-1-2-9(6-11)10-4-5-13-12(7-10)14(16)18-8-17-13/h1-8H,(H2,16,17,18)
Definition date:	2014-01-09
Last modified:	2014-04-18
Release date:	2014-04-23
Identifier:	6-(3-chlorophenyl)quinazolin-4-amine

4MQ

4MQ
Name:	4-(4-METHYL-1,4-DIAZEPAN-1-YL)QUINAZOLINE
Formula:	C14 H18 N4
SMILES:	n1c3c(c(nc1)N2CCCN(C)CC2)cccc3
InChi:	InChI=1S/C14H18N4/c1-17-7-4-8-18(10-9-17)14-12-5-2-3-6-13(12)15-11-16-14/h2-3,5-6,11H,4,7-10H2,1H3
Definition date:	2011-11-14
Last modified:	2014-04-16
Release date:	2012-10-19
Identifier:	4-(4-methyl-1,4-diazepan-1-yl)quinazoline

S0I

S0I
Name:	4-benzyl-3,4-dihydroquinoxalin-2(1H)-one
Formula:	C15 H14 N2 O
SMILES:	O=C2Nc1c(cccc1)N(C2)Cc3ccccc3
InChi:	InChI=1S/C15H14N2O/c18-15-11-17(10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)16-15/h1-9H,10-11H2,(H,16,18)
Definition date:	2013-11-07
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	4-benzyl-3,4-dihydroquinoxalin-2(1H)-one

S0K

S0K
Name:	N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
Formula:	C15 H16 N2 O2 S
SMILES:	O=C(Nc1ccccc1N2CCOCC2)c3ccsc3
InChi:	InChI=1S/C15H16N2O2S/c18-15(12-5-10-20-11-12)16-13-3-1-2-4-14(13)17-6-8-19-9-7-17/h1-5,10-11H,6-9H2,(H,16,18)
Definition date:	2013-11-07
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide

24W

24W
Name:	1,2,3,4-tetrahydroisoquinolin-5-amine
Formula:	C9 H12 N2
SMILES:	c12cccc(c1CCNC2)N
InChi:	InChI=1S/C9H12N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6,10H2
Definition date:	2013-09-20
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	1,2,3,4-tetrahydroisoquinolin-5-amine

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