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R8G

R8G
Name:	2,7-bis[3-(4-methylpiperazin-1-yl)propyl]-4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
Formula:	C46 H72 N12 O4
SMILES:	O=C6c2c5c3c(c(NCCCN1CCN(C)CC1)c2)C(=O)N(C(=O)c3cc(NCCCN4CCN(C)CC4)c5C(=O)N6CCCN7CCN(CC7)C)CCCN8CCN(C)CC8
InChi:	InChI=1S/C46H72N12O4/c1-49-17-25-53(26-18-49)11-5-9-47-37-33-35-40-39-36(44(60)57(45(61)41(37)39)15-7-13-55-29-21-51(3)22-30-55)34-38(48-10-6-12-54-27-19-50(2)20-28-54)42(40)46(62)58(43(35)59)16-8-14-56-31-23-52(4)24-32-56/h33-34,47-48H,5-32H2,1-4H3
Definition date:	2011-06-17
Last modified:	2012-02-10
Identifier:	2,7-bis[3-(4-methylpiperazin-1-yl)propyl]-4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone

MC1

MC1
Name:	METHICILLIN ACYL-SERINE
Formula:	C20 H25 N3 O9 S
SMILES:	O=C(NC(C(=O)OCC(C([O-])=O)N)C1SC(C(N1)C([O-])=O)(C)C)c2c(OC)cccc2OC
InChi:	InChI=1S/C20H27N3O9S/c1-20(2)14(18(27)28)23-16(33-20)13(19(29)32-8-9(21)17(25)26)22-15(24)12-10(30-3)6-5-7-11(12)31-4/h5-7,9,13-14,16,23H,8,21H2,1-4H3,(H,22,24)(H,25,26)(H,27,28)/p-2/t9-,13-,14-,16+/m0/s1
Definition date:	2002-10-07
Last modified:	2012-02-07
Identifier:	(2R,4S)-2-{(1R)-2-[(2S)-2-amino-2-carboxylatoethoxy]-1-[(2,6-dimethoxybenzoyl)amino]-2-oxoethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylate

0H5

0H5
Name:	6-methoxy-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
Formula:	C13 H13 N5 O
SMILES:	n2c(Nc1nn(cc1)C)c3cc(OC)ccc3nc2
InChi:	InChI=1S/C13H13N5O/c1-18-6-5-12(17-18)16-13-10-7-9(19-2)3-4-11(10)14-8-15-13/h3-8H,1-2H3,(H,14,15,16,17)
Definition date:	2012-01-17
Last modified:	2012-02-03
Identifier:	6-methoxy-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

09M

09M
Name:	(5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
Formula:	C17 H18 N3 O7 P
SMILES:	O=P(O)(O)OCc1cnc(c(O)c1CNC3=Cc2c(cccc2)N(O)C3=O)C
InChi:	InChI=1S/C17H18N3O7P/c1-10-16(21)13(12(7-18-10)9-27-28(24,25)26)8-19-14-6-11-4-2-3-5-15(11)20(23)17(14)22/h2-7,19,21,23H,8-9H2,1H3,(H2,24,25,26)
Definition date:	2011-11-03
Last modified:	2012-01-27
Identifier:	(5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate

TNP

TNP
Name:	3,5,6,8-TETRAMETHYL-N-METHYL PHENANTHROLINIUM
Formula:	C17 H19 N2
SMILES:	n2cc(cc3c(c(c1cc(c[n+](c1c23)C)C)C)C)C
InChi:	InChI=1S/C17H19N2/c1-10-6-14-12(3)13(4)15-7-11(2)9-19(5)17(15)16(14)18-8-10/h6-9H,1-5H3/q+1
Definition date:	1999-07-08
Last modified:	2012-01-25
Identifier:	1,3,5,6,8-pentamethyl-1,10-phenanthrolin-1-ium

6ME

6ME
Name:	(6S)-6-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Formula:	C9 H14 N4
SMILES:	n1c2c(c(nc1N)N)CC(CC2)C
InChi:	InChI=1S/C9H14N4/c1-5-2-3-7-6(4-5)8(10)13-9(11)12-7/h5H,2-4H2,1H3,(H4,10,11,12,13)/t5-/m0/s1
Definition date:	2011-04-07
Last modified:	2012-01-20
Identifier:	(6S)-6-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

0CV

0CV
Name:	6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline
Formula:	C17 H21 N5 O
SMILES:	n2c1c(cc(OC)cc1c(c3c2nnc3C)N4CCNCC4)C
InChi:	InChI=1S/C17H21N5O/c1-10-8-12(23-3)9-13-15(10)19-17-14(11(2)20-21-17)16(13)22-6-4-18-5-7-22/h8-9,18H,4-7H2,1-3H3,(H,19,20,21)
Definition date:	2011-12-09
Last modified:	2012-01-20
Identifier:	6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline

UXH

UXH
Name:	6,8-diamino-7-chloro-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide
Formula:	C12 H10 Cl N5 O2
SMILES:	Clc3c(c1nc(cc2C(=O)N(c(c12)c3N)C)C(=O)N)N
InChi:	InChI=1S/C12H10ClN5O2/c1-18-10-5-3(12(18)20)2-4(11(16)19)17-9(5)7(14)6(13)8(10)15/h2H,14-15H2,1H3,(H2,16,19)
Definition date:	2012-01-09
Last modified:	2012-01-13
Identifier:	6,8-diamino-7-chloro-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide

GKL

GKL
Name:	N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valine
Formula:	C12 H26 N2 O3
SMILES:	O=C(O)C(NCC(O)C(N)CC(C)C)C(C)C
InChi:	InChI=1S/C12H26N2O3/c1-7(2)5-9(13)10(15)6-14-11(8(3)4)12(16)17/h7-11,14-15H,5-6,13H2,1-4H3,(H,16,17)/t9-,10-,11-/m0/s1
Definition date:	2010-09-28
Last modified:	2012-01-13
Identifier:	N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valine

TUC

TUC
Name:	(isoquinolin-5-yloxy)acetic acid
Formula:	C11 H9 N O3
SMILES:	O=C(O)COc1cccc2c1ccnc2
InChi:	InChI=1S/C11H9NO3/c13-11(14)7-15-10-3-1-2-8-6-12-5-4-9(8)10/h1-6H,7H2,(H,13,14)
Definition date:	2010-11-11
Last modified:	2012-01-13
Identifier:	(isoquinolin-5-yloxy)acetic acid

465

465
Name:	8-amino-7-chloro-1-methyl-6-(methylideneamino)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide
Formula:	C13 H10 Cl N5 O2
SMILES:	Clc3c(N=C)c1nc(cc2C(=O)N(c(c12)c3N)C)C(=O)N
InChi:	InChI=1S/C13H10ClN5O2/c1-17-10-7(14)8(15)11-6-4(13(21)19(11)2)3-5(12(16)20)18-9(6)10/h3H,1,15H2,2H3,(H2,16,20)
Definition date:	2012-01-09
Last modified:	2012-01-13
Identifier:	8-amino-7-chloro-1-methyl-6-(methylideneamino)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide

7ME

7ME
Name:	(7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Formula:	C9 H14 N4
SMILES:	n1c2c(c(nc1N)N)CCC(C2)C
InChi:	InChI=1S/C9H14N4/c1-5-2-3-6-7(4-5)12-9(11)13-8(6)10/h5H,2-4H2,1H3,(H4,10,11,12,13)/t5-/m0/s1
Definition date:	2011-04-07
Last modified:	2012-01-13
Identifier:	(7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

01J

01J
Name:	N-[(S)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-D-phenylalanine
Formula:	C20 H24 N2 O4
SMILES:	O=C(O)C(NC(O)N1CCOCC1)C(c2ccccc2)c3ccccc3
InChi:	InChI=1S/C20H24N2O4/c23-19(24)18(21-20(25)22-11-13-26-14-12-22)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18,20-21,25H,11-14H2,(H,23,24)/t18-,20+/m1/s1
Definition date:	2011-02-22
Last modified:	2012-01-13
Identifier:	N-[(S)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-D-phenylalanine

Q24

Q24
Name:	quinazoline-2,4-diamine
Formula:	C8 H8 N4
SMILES:	n2c1c(cccc1)c(nc2N)N
InChi:	InChI=1S/C8H8N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H,(H4,9,10,11,12)
Definition date:	2011-04-07
Last modified:	2012-01-13
Identifier:	quinazoline-2,4-diamine

X98

X98
Name:	1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one
Formula:	C26 H28 N4 O3
SMILES:	O=C(N1CCCC1)C5N(C(=O)CCN3c4ccccc4N=C(c2ccccc2)C3=O)CCC5
InChi:	InChI=1S/C26H28N4O3/c31-23(29-17-8-13-22(29)25(32)28-15-6-7-16-28)14-18-30-21-12-5-4-11-20(21)27-24(26(30)33)19-9-2-1-3-10-19/h1-5,9-12,22H,6-8,13-18H2/t22-/m0/s1
Definition date:	2008-10-15
Last modified:	2012-01-11
Identifier:	1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one

19U

19U
Name:	1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide
Formula:	C16 H22 Cl N3 O2
SMILES:	O=C(NCc1cccc(Cl)c1)C2N(C(=O)C(N)CC)CCC2
InChi:	InChI=1S/C16H22ClN3O2/c1-2-13(18)16(22)20-8-4-7-14(20)15(21)19-10-11-5-3-6-12(17)9-11/h3,5-6,9,13-14H,2,4,7-8,10,18H2,1H3,(H,19,21)/t13-,14+/m1/s1
Definition date:	2008-01-17
Last modified:	2012-01-11
Identifier:	1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide

VAP

VAP
Name:	6,7,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one
Formula:	C14 H17 N O4
SMILES:	O=C2C=C(c1c(c(OC)c(OC)c(OC)c1)N2C)C
InChi:	InChI=1S/C14H17NO4/c1-8-6-11(16)15(2)12-9(8)7-10(17-3)13(18-4)14(12)19-5/h6-7H,1-5H3
Definition date:	2010-06-29
Last modified:	2012-01-06
Identifier:	6,7,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one

RZW

RZW
Name:	5,6,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one
Formula:	C14 H17 N O4
SMILES:	O=C2C=C(c1c(OC)c(OC)cc(OC)c1N2C)C
InChi:	InChI=1S/C14H17NO4/c1-8-6-11(16)15(2)13-9(17-3)7-10(18-4)14(19-5)12(8)13/h6-7H,1-5H3
Definition date:	2010-06-29
Last modified:	2012-01-06
Identifier:	5,6,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one

VVV

VVV
Name:	5,6,8-trimethoxy-4-methylquinolin-2(1H)-one
Formula:	C13 H15 N O4
SMILES:	O=C2C=C(c1c(OC)c(OC)cc(OC)c1N2)C
InChi:	InChI=1S/C13H15NO4/c1-7-5-10(15)14-12-8(16-2)6-9(17-3)13(18-4)11(7)12/h5-6H,1-4H3,(H,14,15)
Definition date:	2010-06-29
Last modified:	2012-01-06
Identifier:	5,6,8-trimethoxy-4-methylquinolin-2(1H)-one

HGZ

HGZ
Name:	6,7,8-trimethoxy-4-methylquinolin-2(1H)-one
Formula:	C13 H15 N O4
SMILES:	O=C2C=C(c1c(c(OC)c(OC)c(OC)c1)N2)C
InChi:	InChI=1S/C13H15NO4/c1-7-5-10(15)14-11-8(7)6-9(16-2)12(17-3)13(11)18-4/h5-6H,1-4H3,(H,14,15)
Definition date:	2010-06-29
Last modified:	2012-01-06
Identifier:	6,7,8-trimethoxy-4-methylquinolin-2(1H)-one

ZXZ

ZXZ
Name:	1,4-dimethylquinolin-2(1H)-one
Formula:	C11 H11 N O
SMILES:	O=C2C=C(c1c(cccc1)N2C)C
InChi:	InChI=1S/C11H11NO/c1-8-7-11(13)12(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3
Definition date:	2010-06-29
Last modified:	2012-01-06
Identifier:	1,4-dimethylquinolin-2(1H)-one

YTR

YTR
Name:	7,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one
Formula:	C13 H15 N O3
SMILES:	O=C2C=C(c1c(c(OC)c(OC)cc1)N2C)C
InChi:	InChI=1S/C13H15NO3/c1-8-7-11(15)14(2)12-9(8)5-6-10(16-3)13(12)17-4/h5-7H,1-4H3
Definition date:	2010-06-29
Last modified:	2012-01-06
Identifier:	7,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one

A2Z

A2Z
Name:	6,9-dimethyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one
Formula:	C12 H11 N O3
SMILES:	O=C1C=C(c3c(N1C)c2OCOc2cc3)C
InChi:	InChI=1S/C12H11NO3/c1-7-5-10(14)13(2)11-8(7)3-4-9-12(11)16-6-15-9/h3-5H,6H2,1-2H3
Definition date:	2010-06-29
Last modified:	2012-01-06
Identifier:	6,9-dimethyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one

A7B

A7B
Name:	8-methoxy-4-methylquinolin-2(1H)-one
Formula:	C11 H11 N O2
SMILES:	O=C2C=C(c1c(c(OC)ccc1)N2)C
InChi:	InChI=1S/C11H11NO2/c1-7-6-10(13)12-11-8(7)4-3-5-9(11)14-2/h3-6H,1-2H3,(H,12,13)
Definition date:	2010-06-29
Last modified:	2012-01-06
Identifier:	8-methoxy-4-methylquinolin-2(1H)-one

EWQ

EWQ
Name:	6,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one
Formula:	C13 H15 N O3
SMILES:	O=C2C=C(c1c(c(OC)cc(OC)c1)N2C)C
InChi:	InChI=1S/C13H15NO3/c1-8-5-12(15)14(2)13-10(8)6-9(16-3)7-11(13)17-4/h5-7H,1-4H3
Definition date:	2010-06-11
Last modified:	2012-01-06
Identifier:	6,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one

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