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C19

C19
Name:	3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one
Formula:	C24 H23 N5 O
SMILES:	O=C5C(c2cc1cnc(nc1cc2)N)=C(C=CN5c3ccc4c(c3)NCC4(C)C)C
InChi:	InChI=1S/C24H23N5O/c1-14-8-9-29(17-5-6-18-20(11-17)27-13-24(18,2)3)22(30)21(14)15-4-7-19-16(10-15)12-26-23(25)28-19/h4-12,27H,13H2,1-3H3,(H2,25,26,28)
Definition date:	2008-04-01
Last modified:	2011-06-04
Identifier:	3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-4-methylpyridin-2(1H)-one

C1B

C1B
Name:	(2R)-2-[5-(5-CARBAMIMIDOYL-1H-BENZOIMIDAZOL-2-YL)-6,2'-DIHYDROXY-5'-UREIDOMETHYL-BIPHENYL-3-YL]-SUCCINIC ACID
Formula:	C26 H24 N6 O7
SMILES:	O=C(O)CC(C(=O)O)c4cc(c2nc1ccc(cc1n2)C(=[N@H])N)c(O)c(c3cc(ccc3O)CNC(=O)N)c4
InChi:	InChI=1S/C26H24N6O7/c27-23(28)12-2-3-18-19(8-12)32-24(31-18)17-7-13(14(25(37)38)9-21(34)35)6-16(22(17)36)15-5-11(1-4-20(15)33)10-30-26(29)39/h1-8,14,33,36H,9-10H2,(H3,27,28)(H,31,32)(H,34,35)(H,37,38)(H3,29,30,39)/t14-/m1/s1
Definition date:	2005-10-14
Last modified:	2011-06-04
Identifier:	(2R)-2-{5-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5'-[(carbamoylamino)methyl]-2',6-dihydroxybiphenyl-3-yl}butanedioic acid

4HA

4HA
Name:	4-HYDROXYBUTAN-1-AMINIUM
Formula:	C4 H12 N O
SMILES:	OCCCC[NH3+]
InChi:	InChI=1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2/p+1
Definition date:	2004-02-02
Last modified:	2011-06-04
Identifier:	4-hydroxybutan-1-aminium

MXA

MXA
Name:	6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE
Formula:	C17 H19 N5 O2
SMILES:	n1cc(c(c2c1nc(nc2N)N)C)Cc3cc(OC)ccc3OC
InChi:	InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	6-(2,5-dimethoxybenzyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine

4HD

4HD
Name:	(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid
Formula:	C22 H32 O3
SMILES:	O=C(O)CCC(O)C=CC=C/CC=C/CC=C/CC=C/CC=C/CC
InChi:	InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,15-18,21,23H,2,5,8,11,14,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17+/t21-/m1/s1
Definition date:	2008-06-02
Last modified:	2011-06-04
Identifier:	(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid

4HG

4HG
Name:	N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Formula:	C12 H9 I N2 O4
SMILES:	O=C(O)CNC(=O)c2ncc1c(I)cccc1c2O
InChi:	InChI=1S/C12H9IN2O4/c13-8-3-1-2-6-7(8)4-14-10(11(6)18)12(19)15-5-9(16)17/h1-4,18H,5H2,(H,15,19)(H,16,17)
Definition date:	2006-02-22
Last modified:	2011-06-04
Identifier:	N-[(4-hydroxy-8-iodoisoquinolin-3-yl)carbonyl]glycine

MXE

MXE
Name:	2-METHOXYETHANOL
Formula:	C3 H8 O2
SMILES:	OCCOC
InChi:	InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
Definition date:	2003-06-06
Last modified:	2011-06-04
Identifier:	2-methoxyethanol

MXG

MXG
Name:	2-(1-{2-[4-(2-ACETYLAMINO-PROPIONYLAMINO)-4-CARBOXY-BUTYRYLAMINO]-6-AMINO-HEXANOYLAMINO}-2-OXO-ETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
Formula:	C24 H36 N6 O9 S
SMILES:	O=C(NC(C(=O)NC(C(=O)O)CCC(=O)NC(C(=O)NC(C=O)C1N=C(C(=C)CS1)C(=O)O)CCCCN)C)C
InChi:	InChI=1S/C24H36N6O9S/c1-12-11-40-22(30-19(12)24(38)39)17(10-31)29-21(35)15(6-4-5-9-25)27-18(33)8-7-16(23(36)37)28-20(34)13(2)26-14(3)32/h10,13,15-17,22H,1,4-9,11,25H2,2-3H3,(H,26,32)(H,27,33)(H,28,34)(H,29,35)(H,36,37)(H,38,39)/t13-,15-,16+,17+,22+/m0/s1
Definition date:	2003-03-03
Last modified:	2011-06-04
Identifier:	N-acetyl-L-alanyl-D-gamma-glutamyl-N-{(1R)-1-[(2R)-4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl]-2-oxoethyl}-L-lysinamide

4HI

4HI
Name:	(3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid
Formula:	C27 H32 F N3 O5
SMILES:	O=C(O)CC(O)CC(O)CCn2c(c(nc2c1ccc(F)cc1)C(=O)NCc3ccccc3)C(C)C
InChi:	InChI=1S/C27H32FN3O5/c1-17(2)25-24(27(36)29-16-18-6-4-3-5-7-18)30-26(19-8-10-20(28)11-9-19)31(25)13-12-21(32)14-22(33)15-23(34)35/h3-11,17,21-22,32-33H,12-16H2,1-2H3,(H,29,36)(H,34,35)/t21-,22-/m1/s1
Definition date:	2008-02-27
Last modified:	2011-06-04
Identifier:	(3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid

4HM

4HM
Name:	4-HYDROPEROXY-2-METHOXY-PHENOL
Formula:	C7 H8 O4
SMILES:	Oc1ccc(OO)cc1OC
InChi:	InChI=1S/C7H8O4/c1-10-7-4-5(11-9)2-3-6(7)8/h2-4,8-9H,1H3
Definition date:	2001-01-05
Last modified:	2011-06-04
Identifier:	4-hydroperoxy-2-methoxyphenol

MXS

MXS
Name:	(2S)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid
Formula:	C16 H19 N3 O7 S
SMILES:	O=C(O)C(Nc2c(cc1cc(ccn12)NC(=O)OC)C=O)C(S(=O)O)(C)C
InChi:	InChI=1S/C16H19N3O7S/c1-16(2,27(24)25)12(14(21)22)18-13-9(8-20)6-11-7-10(4-5-19(11)13)17-15(23)26-3/h4-8,12,18H,1-3H3,(H,17,23)(H,21,22)(H,24,25)/t12-/m0/s1
Definition date:	2009-01-23
Last modified:	2011-06-04
Identifier:	N-{2-formyl-7-[(methoxycarbonyl)amino]indolizin-3-yl}-3-sulfino-D-valine

4HY

4HY
Name:	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
Formula:	C14 H9 I3 O4
SMILES:	Ic2cc(Oc1c(I)cc(cc1I)CC(=O)O)ccc2O
InChi:	InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
Definition date:	2003-01-24
Last modified:	2011-06-04
Identifier:	[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid

MXX

MXX
Name:	5,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one
Formula:	C13 H15 N O3
SMILES:	O=C2C=C(c1c(OC)ccc(OC)c1N2C)C
InChi:	InChI=1S/C13H15NO3/c1-8-7-11(15)14(2)13-10(17-4)6-5-9(16-3)12(8)13/h5-7H,1-4H3
Definition date:	2009-02-18
Last modified:	2011-06-04
Identifier:	5,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one

PEY

PEY
Name:	PHENANTHRENE
Formula:	C14 H10
SMILES:	c3cc2ccc1ccccc1c2cc3
InChi:	InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
Definition date:	2006-07-12
Last modified:	2011-06-04
Identifier:	phenanthrene

PEZ

PEZ
Name:	2-(PHOSPHONOOXY)BUTANOIC ACID
Formula:	C4 H9 O6 P
SMILES:	O=P(O)(O)OC(C(=O)O)CC
InChi:	InChI=1S/C4H9O6P/c1-2-3(4(5)6)10-11(7,8)9/h3H,2H2,1H3,(H,5,6)(H2,7,8,9)/t3-/m1/s1
Definition date:	2003-05-19
Last modified:	2011-06-04
Identifier:	(2R)-2-(phosphonooxy)butanoic acid

PF1

PF1
Name:	N-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-N-(2-HYDROXYETHYL)FORMAMIDE
Formula:	C9 H14 N4 O2
SMILES:	O=CN(Cc1cnc(nc1N)C)CCO
InChi:	InChI=1S/C9H14N4O2/c1-7-11-4-8(9(10)12-7)5-13(6-15)2-3-14/h4,6,14H,2-3,5H2,1H3,(H2,10,11,12)
Definition date:	2007-07-11
Last modified:	2011-06-04
Identifier:	N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-(2-hydroxyethyl)formamide

PF2

PF2
Name:	2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine
Formula:	C17 H24 F2 N6 O
SMILES:	FC4(F)CCN(C(=O)C3NCC(N2CCN(c1ncccn1)CC2)C3)C4
InChi:	InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
Definition date:	2008-11-19
Last modified:	2011-06-04
Identifier:	2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine

PF4

PF4
Name:	4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
Formula:	C21 H18 N2 O2 S
SMILES:	n2c(c(c1ccc(OC)cc1)nc2c3sccc3)c4ccc(OC)cc4
InChi:	InChI=1S/C21H18N2O2S/c1-24-16-9-5-14(6-10-16)19-20(15-7-11-17(25-2)12-8-15)23-21(22-19)18-4-3-13-26-18/h3-13H,1-2H3,(H,22,23)
Definition date:	2009-06-09
Last modified:	2011-06-04
Identifier:	4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole

PF6

PF6
Name:	2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
Formula:	C25 H20 N4 O
SMILES:	n1c5c(ccc1COc4ccc(c2nncc2Cc3ccncc3)cc4)cccc5
InChi:	InChI=1S/C25H20N4O/c1-2-4-24-19(3-1)5-8-22(28-24)17-30-23-9-6-20(7-10-23)25-21(16-27-29-25)15-18-11-13-26-14-12-18/h1-14,16H,15,17H2,(H,27,29)
Definition date:	2009-06-09
Last modified:	2011-06-04
Identifier:	2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline

4IG

4IG
Name:	(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE
Formula:	C24 H25 F2 N5 O3
SMILES:	Fc1cc(cc(F)c1)C4Oc3ccc(c2c(nc(nc2N)N)CC)cc3N(C4=O)CCCOC
InChi:	InChI=1S/C24H25F2N5O3/c1-3-17-20(22(27)30-24(28)29-17)13-5-6-19-18(11-13)31(7-4-8-33-2)23(32)21(34-19)14-9-15(25)12-16(26)10-14/h5-6,9-12,21H,3-4,7-8H2,1-2H3,(H4,27,28,29,30)/t21-/m0/s1
Definition date:	2006-02-21
Last modified:	2011-06-04
Identifier:	(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2H-1,4-benzoxazin-3(4H)-one

PF8

PF8
Name:	2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline
Formula:	C24 H18 N4 O
SMILES:	n5ccc(c1c(nnc1)c4ccc(OCc2nc3c(cc2)cccc3)cc4)cc5
InChi:	InChI=1S/C24H18N4O/c1-2-4-23-18(3-1)5-8-20(27-23)16-29-21-9-6-19(7-10-21)24-22(15-26-28-24)17-11-13-25-14-12-17/h1-15H,16H2,(H,26,28)
Definition date:	2009-06-09
Last modified:	2011-06-04
Identifier:	2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline

PF9

PF9
Name:	2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline
Formula:	C25 H20 N4 O
SMILES:	n1c5c(ccc1COc4ccc(c3nn(cc3c2ccncc2)C)cc4)cccc5
InChi:	InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3
Definition date:	2009-06-09
Last modified:	2011-06-04
Identifier:	2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline

PFB

PFB
Name:	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL
Formula:	C7 H3 F5 O
SMILES:	Fc1c(c(F)c(F)c(F)c1F)CO
InChi:	InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(pentafluorophenyl)methanol

PFD

PFD
Name:	5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE
Formula:	C20 H19 F N2 O6
SMILES:	O=C3NC(=O)NC(=O)C3(Oc2ccc(Oc1ccc(F)cc1)cc2)CCOCC
InChi:	InChI=1S/C20H19FN2O6/c1-2-27-12-11-20(17(24)22-19(26)23-18(20)25)29-16-9-7-15(8-10-16)28-14-5-3-13(21)4-6-14/h3-10H,2,11-12H2,1H3,(H2,22,23,24,25,26)
Definition date:	2005-02-07
Last modified:	2011-06-04
Identifier:	5-(2-ethoxyethyl)-5-[4-(4-fluorophenoxy)phenoxy]pyrimidine-2,4,6(1H,3H,5H)-trione

PFE

PFE
Name:	{4-[3-(6,7-DIETHOXY-QUINAZOLIN-4-YLAMINO)-PHENYL]-THIAZOL-2-YL}-METHANOL
Formula:	C22 H22 N4 O3 S
SMILES:	OCc4nc(c3cc(Nc2ncnc1c2cc(OCC)c(OCC)c1)ccc3)cs4
InChi:	InChI=1S/C22H22N4O3S/c1-3-28-19-9-16-17(10-20(19)29-4-2)23-13-24-22(16)25-15-7-5-6-14(8-15)18-12-30-21(11-27)26-18/h5-10,12-13,27H,3-4,11H2,1-2H3,(H,23,24,25)
Definition date:	2002-04-19
Last modified:	2011-06-04
Identifier:	(4-{3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl}-1,3-thiazol-2-yl)methanol

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