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TEP

TEP
Name:	THEOPHYLLINE
Formula:	C7 H8 N4 O2
SMILES:	O=C2N(c1ncnc1C(=O)N2C)C
InChi:	InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

TF2

TF2
Name:	(N-{4-[(ETHYLANILINO)SULFONYL]-2-METHYLPHENYL}-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANAMIDE
Formula:	C19 H21 F3 N2 O4 S
SMILES:	O=S(=O)(N(c1ccccc1)CC)c2ccc(NC(=O)C(O)(C)C(F)(F)F)c(c2)C
InChi:	InChI=1S/C19H21F3N2O4S/c1-4-24(14-8-6-5-7-9-14)29(27,28)15-10-11-16(13(2)12-15)23-17(25)18(3,26)19(20,21)22/h5-12,26H,4H2,1-3H3,(H,23,25)/t18-/m1/s1
Definition date:	2005-06-08
Last modified:	2011-06-04
Identifier:	(2R)-N-{4-[ethyl(phenyl)sulfamoyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

TF7

TF7
Name:	(3S)-3-(dihydroxy-lambda~4~-sulfanyl)-4-(1H-1,2,3-triazol-1-yl)-D-valine
Formula:	C7 H14 N4 O4 S
SMILES:	O=C(O)C(N)C(S(O)O)(Cn1nncc1)C
InChi:	InChI=1S/C7H14N4O4S/c1-7(16(14)15,5(8)6(12)13)4-11-3-2-9-10-11/h2-3,5,14-16H,4,8H2,1H3,(H,12,13)/t5-,7-/m0/s1
Definition date:	2011-02-17
Last modified:	2011-06-04
Identifier:	(3S)-3-(dihydroxy-lambda~4~-sulfanyl)-4-(1H-1,2,3-triazol-1-yl)-D-valine

CD2

CD2
Name:	1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1H-pyrazole-5-carboxylic acid
Formula:	C20 H17 N5 O2
SMILES:	O=C(O)c1cc(nn1CCN)c4ccnc(c2cc3ccccc3nc2)c4
InChi:	InChI=1S/C20H17N5O2/c21-6-8-25-19(20(26)27)11-18(24-25)14-5-7-22-17(10-14)15-9-13-3-1-2-4-16(13)23-12-15/h1-5,7,9-12H,6,8,21H2,(H,26,27)
Definition date:	2011-03-18
Last modified:	2011-06-04
Identifier:	1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1H-pyrazole-5-carboxylic acid

TFP

TFP
Name:	10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
Formula:	C21 H24 F3 N3 S
SMILES:	FC(F)(F)c2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(C)CC4
InChi:	InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine

CDH

CDH
Name:	D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-ISODEHYDROVALINE
Formula:	C14 H23 N3 O6 S
SMILES:	O=C(NC(C(=C)C)C(=O)O)C(NC(=O)CCCC(C(=O)O)N)CS
InChi:	InChI=1S/C14H23N3O6S/c1-7(2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h8-9,11,24H,1,3-6,15H2,2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8?,9?,11-/m1/s1
Definition date:	2004-03-17
Last modified:	2011-06-04
Identifier:	N~6~-[(1R)-2-{[(1R)-1-carboxy-2-methylprop-2-en-1-yl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxolysine

CEM

CEM
Name:	N-(1-CARBOXY-2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-CISPROPENYL)AMINE
Formula:	C8 H11 N O5
SMILES:	O=CCC(O)C(NC=C/C=O)C(=O)O
InChi:	InChI=1S/C8H11NO5/c10-4-1-3-9-7(8(13)14)6(12)2-5-11/h1,3-7,9,12H,2H2,(H,13,14)/b3-1-/t6-,7+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(3S)-3-hydroxy-5-oxo-N-[(1Z)-3-oxoprop-1-en-1-yl]-D-norvaline

CFQ

CFQ
Name:	1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine
Formula:	C13 H19 As F3 N O3
SMILES:	FC(F)(F)C(OCC[As+](C)(C)C)c1ccccc1[N+](=O)O
InChi:	InChI=1S/C13H19AsF3NO3/c1-14(2,3)8-9-21-12(13(15,16)17)10-6-4-5-7-11(10)18(19)20/h4-7,12H,8-9H2,1-3H3,(H,19,20)/q+2/t12-/m0/s1
Definition date:	2007-08-22
Last modified:	2011-06-04
Identifier:	hydroxy(oxo)(2-{(1S)-2,2,2-trifluoro-1-[2-(trimethylarsonio)ethoxy]ethyl}phenyl)ammonium

GJW

GJW
Name:	7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
Formula:	C16 H17 N3 O
SMILES:	O=C3c4cccn4c1c(cc(cc1)CN2CCCC2)N3
InChi:	InChI=1S/C16H17N3O/c20-16-15-4-3-9-19(15)14-6-5-12(10-13(14)17-16)11-18-7-1-2-8-18/h3-6,9-10H,1-2,7-8,11H2,(H,17,20)
Definition date:	2009-03-17
Last modified:	2011-06-04
Identifier:	7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one

GK1

GK1
Name:	4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde
Formula:	C20 H15 N3 O2 S
SMILES:	O=Cc4nc(c3ccc2c(nccc2Nc1cc(O)ccc1C)c3)cs4
InChi:	InChI=1S/C20H15N3O2S/c1-12-2-4-14(25)9-17(12)22-16-6-7-21-18-8-13(3-5-15(16)18)19-11-26-20(10-24)23-19/h2-11,25H,1H3,(H,21,22)
Definition date:	2007-10-15
Last modified:	2011-06-04
Identifier:	4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde

TMQ

TMQ
Name:	TRIMETREXATE
Formula:	C19 H24 N5 O3
SMILES:	O(c1cc(cc(OC)c1OC)NCc2c(c3c(cc2)[nH+]c(nc3N)N)C)C
InChi:	InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)/p+1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2,4-diamino-5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}quinazolin-1-ium

TP2

TP2
Name:	N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL
Formula:	C14 H20 N2 O3 S2
SMILES:	O=C(NCCS)C2N(S(=O)(=O)c1ccc(cc1)C)CCC2
InChi:	InChI=1S/C14H20N2O3S2/c1-11-4-6-12(7-5-11)21(18,19)16-9-2-3-13(16)14(17)15-8-10-20/h4-7,13,20H,2-3,8-10H2,1H3,(H,15,17)/t13-/m1/s1
Definition date:	2000-06-13
Last modified:	2011-06-04
Identifier:	1-[(4-methylphenyl)sulfonyl]-N-(2-sulfanylethyl)-D-prolinamide

GNQ

GNQ
Name:	N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE
Formula:	C25 H31 F3 N4 O6 S
SMILES:	O=C(NC(C(=O)NC(C)CNc1ccc(OC(F)(F)F)cc1)CS(=O)(=O)Cc2ccccc2)N3CCOCC3
InChi:	InChI=1S/C25H31F3N4O6S/c1-18(15-29-20-7-9-21(10-8-20)38-25(26,27)28)30-23(33)22(31-24(34)32-11-13-37-14-12-32)17-39(35,36)16-19-5-3-2-4-6-19/h2-10,18,22,29H,11-17H2,1H3,(H,30,33)(H,31,34)/t18-,22-/m0/s1
Definition date:	2006-06-28
Last modified:	2011-06-04
Identifier:	N-[(1R)-1-[(benzylsulfonyl)methyl]-2-{[(1S)-1-methyl-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl]amino}-2-oxoethyl]morpholine-4-carboxamide

TPR

TPR
Name:	TOSYL-D-PROLINE
Formula:	C12 H15 N O4 S
SMILES:	O=C(O)C2N(S(=O)(=O)c1ccc(cc1)C)CCC2
InChi:	InChI=1S/C12H15NO4S/c1-9-4-6-10(7-5-9)18(16,17)13-8-2-3-11(13)12(14)15/h4-7,11H,2-3,8H2,1H3,(H,14,15)/t11-/m1/s1
Definition date:	2000-06-13
Last modified:	2011-06-04
Identifier:	1-[(4-methylphenyl)sulfonyl]-D-proline

TQ3

TQ3
Name:	5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINE
Formula:	C14 H12 N4 S
SMILES:	n3c2c(c(Sc1ccccc1)ccc2)c(nc3N)N
InChi:	InChI=1S/C14H12N4S/c15-13-12-10(17-14(16)18-13)7-4-8-11(12)19-9-5-2-1-3-6-9/h1-8H,(H4,15,16,17,18)
Definition date:	2001-03-23
Last modified:	2011-06-04
Identifier:	5-(phenylsulfanyl)quinazoline-2,4-diamine

TQ4

TQ4
Name:	5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE
Formula:	C15 H14 N4 S
SMILES:	n3c2c(c(Sc1ccc(cc1)C)ccc2)c(nc3N)N
InChi:	InChI=1S/C15H14N4S/c1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19)
Definition date:	2001-03-23
Last modified:	2011-06-04
Identifier:	5-[(4-methylphenyl)sulfanyl]quinazoline-2,4-diamine

TQ5

TQ5
Name:	5-[4-TERT-BUTYLPHENYLSULFANYL]-2,4-QUINAZOLINEDIAMINE
Formula:	C18 H20 N4 S
SMILES:	n3c2c(c(Sc1ccc(cc1)C(C)(C)C)ccc2)c(nc3N)N
InChi:	InChI=1S/C18H20N4S/c1-18(2,3)11-7-9-12(10-8-11)23-14-6-4-5-13-15(14)16(19)22-17(20)21-13/h4-10H,1-3H3,(H4,19,20,21,22)
Definition date:	2001-03-23
Last modified:	2011-06-04
Identifier:	5-[(4-tert-butylphenyl)sulfanyl]quinazoline-2,4-diamine

TQ6

TQ6
Name:	5-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE
Formula:	C18 H19 N5 O S
SMILES:	n1c(N)c4c(nc1N)cccc4Sc3ccc(N2CCOCC2)cc3
InChi:	InChI=1S/C18H19N5OS/c19-17-16-14(21-18(20)22-17)2-1-3-15(16)25-13-6-4-12(5-7-13)23-8-10-24-11-9-23/h1-7H,8-11H2,(H4,19,20,21,22)
Definition date:	2001-03-23
Last modified:	2011-06-04
Identifier:	5-[(4-morpholin-4-ylphenyl)sulfanyl]quinazoline-2,4-diamine

TQD

TQD
Name:	(2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine
Formula:	C19 H29 N5 O3
SMILES:	COc1cc(cc(OC)c1OC)N(C)C[CH]2CCC3=C(C2)C(=N[CH](N)N3)N
InChi:	InChI=1S/C19H29N5O3/c1-24(12-8-15(25-2)17(27-4)16(9-12)26-3)10-11-5-6-14-13(7-11)18(20)23-19(21)22-14/h8-9,11,19,22H,5-7,10,21H2,1-4H3,(H2,20,23)/t11-,19+/m0/s1
Definition date:	2004-01-19
Last modified:	2011-06-04
Identifier:	(2R)-6-[[methyl-(3,4,5-trimethoxyphenyl)amino]methyl]-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine

TQT

TQT
Name:	6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE
Formula:	C17 H33 N5
SMILES:	NC2NC1CCC(CC1C(N)N2)CN4C3CCCCC3CC4
InChi:	InChI=1S/C17H33N5/c18-16-13-9-11(5-6-14(13)20-17(19)21-16)10-22-8-7-12-3-1-2-4-15(12)22/h11-17,20-21H,1-10,18-19H2/t11-,12+,13+,14-,15-,16+,17+/m0/s1
Definition date:	2004-01-20
Last modified:	2011-06-04
Identifier:	(2R,4R,4aR,6S,8aS)-6-[(3aR,7aS)-octahydro-1H-indol-1-ylmethyl]decahydroquinazoline-2,4-diamine

TR1

TR1
Name:	2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
Formula:	C24 H31 N3 O4 S
SMILES:	O=C(OC)C(NC(=O)CNC(=O)C(NCc1ccc(cc1)c2ccccc2)CS)C(C)C
InChi:	InChI=1S/C24H31N3O4S/c1-16(2)22(24(30)31-3)27-21(28)14-26-23(29)20(15-32)25-13-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12,16,20,22,25,32H,13-15H2,1-3H3,(H,26,29)(H,27,28)/t20-,22-/m0/s1
Definition date:	1999-08-03
Last modified:	2011-06-04
Identifier:	methyl N-(biphenyl-4-ylmethyl)-L-cysteinylglycyl-L-valinate

GS5

GS5
Name:	5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE
Formula:	C19 H22 Cl N3 O5 S2
SMILES:	O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3sc2ccc(Cl)cc2c3)CC4)C
InChi:	InChI=1S/C19H22ClN3O5S2/c1-12(18(24)22-6-8-28-9-7-22)23-5-4-15(19(23)25)21-30(26,27)17-11-13-10-14(20)2-3-16(13)29-17/h2-3,10-12,15,21H,4-9H2,1H3/t12-,15-/m0/s1
Definition date:	2006-08-18
Last modified:	2011-06-04
Identifier:	5-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide

GS6

GS6
Name:	6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE
Formula:	C19 H22 Cl N3 O5 S2
SMILES:	O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3sc2cc(Cl)ccc2c3)CC4)C
InChi:	InChI=1S/C19H22ClN3O5S2/c1-12(18(24)22-6-8-28-9-7-22)23-5-4-15(19(23)25)21-30(26,27)17-10-13-2-3-14(20)11-16(13)29-17/h2-3,10-12,15,21H,4-9H2,1H3/t12-,15-/m0/s1
Definition date:	2006-08-18
Last modified:	2011-06-04
Identifier:	6-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide

GSK

GSK
Name:	6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE
Formula:	C21 H24 Cl N3 O5 S
SMILES:	O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3cc2ccc(Cl)cc2cc3)CC4)C
InChi:	InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m0/s1
Definition date:	2006-04-03
Last modified:	2011-06-04
Identifier:	6-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide

GSQ

GSQ
Name:	5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-SULFONAMIDE
Formula:	C19 H23 Cl N4 O5 S
SMILES:	O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3cc2cc(Cl)ccc2n3)CC4)C
InChi:	InChI=1S/C19H23ClN4O5S/c1-12(18(25)23-6-8-29-9-7-23)24-5-4-16(19(24)26)22-30(27,28)17-11-13-10-14(20)2-3-15(13)21-17/h2-3,10-12,16,21-22H,4-9H2,1H3/t12-,16-/m0/s1
Definition date:	2006-08-17
Last modified:	2011-06-04
Identifier:	5-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1H-indole-2-sulfonamide

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