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GTQ
GTQ
Name:2,5-dihydroxybenzoic acid
Formula:C7 H6 O4
SMILES:O=C(O)c1cc(O)ccc1O
InChi:InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
Definition date:2009-09-17
Last modified:2011-06-04
Identifier:2,5-dihydroxybenzoic acid
GTS
GTS
Name:GLUTATHIONE SULFONIC ACID
Formula:C10 H17 N3 O9 S
SMILES:O=C(NC(C(=O)NCC(=O)O)CS(=O)(=O)O)CCC(C(=O)O)N
InChi:InChI=1S/C10H17N3O9S/c11-5(10(18)19)1-2-7(14)13-6(4-23(20,21)22)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21,22)/t5-,6-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:L-gamma-glutamyl-3-sulfo-L-alanylglycine
GTX
GTX
Name:S-HEXYLGLUTATHIONE
Formula:C16 H30 N3 O6 S
SMILES:O=C(O)CNC(=O)C(NC(=O)CCC(C(=O)O)[NH3+])CSCCCCCC
InChi:InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/p+1/t11-,12-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N-[(4S)-4-ammonio-4-carboxybutanoyl]-S-hexyl-L-cysteinylglycine
GU7
GU7
Name:2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-PURIN-6-ONE
Formula:C10 H16 N6 O3
SMILES:O=C2c1c(ncn1CCNC(CO)CO)N=C(N2)N
InChi:InChI=1S/C10H16N6O3/c11-10-14-8-7(9(19)15-10)16(5-13-8)2-1-12-6(3-17)4-18/h5-6,12,17-18H,1-4H2,(H3,11,14,15,19)
Definition date:2000-09-28
Last modified:2011-06-04
Identifier:2-amino-7-(2-{[2-hydroxy-1-(hydroxymethyl)ethyl]amino}ethyl)-1,7-dihydro-6H-purin-6-one
GUB
GUB
Name:9-alpha-L-lyxofuranosyl-N-(2-phenylethyl)-9H-purin-6-amine
Formula:C18 H21 N5 O4
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)NCCc4ccccc4
InChi:InChI=1S/C18H21N5O4/c24-8-12-14(25)15(26)18(27-12)23-10-22-13-16(20-9-21-17(13)23)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,12,14-15,18,24-26H,6-8H2,(H,19,20,21)/t12-,14+,15+,18+/m0/s1
Definition date:2009-04-10
Last modified:2011-06-04
Identifier:9-alpha-L-lyxofuranosyl-N-(2-phenylethyl)-9H-purin-6-amine
GUN
GUN
Name:GUANINE
Formula:C5 H5 N5 O
SMILES:O=C1c2ncnc2N=C(N1)N
InChi:InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2-amino-1,9-dihydro-6H-purin-6-one
GV9
GV9
Name:3-(acetylamino)thiophene-2-carboxylic acid
Formula:C7 H7 N O3 S
SMILES:O=C(Nc1c(scc1)C(=O)O)C
InChi:InChI=1S/C7H7NO3S/c1-4(9)8-5-2-3-12-6(5)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)
Definition date:2009-04-01
Last modified:2011-06-04
Identifier:3-(acetylamino)thiophene-2-carboxylic acid
GVB
GVB
Name:(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE
Formula:C20 H26 N2 O2
SMILES:O(c1c(OC)cc(cc1)N3CCC(N)C(c2cccc(c2)C)C3)C
InChi:InChI=1S/C20H26N2O2/c1-14-5-4-6-15(11-14)17-13-22(10-9-18(17)21)16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17-18H,9-10,13,21H2,1-3H3/t17-,18-/m0/s1
Definition date:2007-02-28
Last modified:2011-06-04
Identifier:(3R,4S)-1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine
GVD
GVD
Name:[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE
Formula:C22 H19 N7
SMILES:N#CCC5C=CC(=N/c2nc1c(cccc1)c(n2)Nc3nnc(c3)C4CC4)C=C5
InChi:InChI=1S/C22H19N7/c23-12-11-14-5-9-16(10-6-14)24-22-25-18-4-2-1-3-17(18)21(27-22)26-20-13-19(28-29-20)15-7-8-15/h1-6,9-10,13-15H,7-8,11H2,(H2,25,26,27,28,29)/b24-16-/t14-/m0/s1
Definition date:2007-03-08
Last modified:2011-06-04
Identifier:[(1S,4E)-4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile
GVF
GVF
Name:BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)]
Formula:C6 H10 O16 P4
SMILES:O=P(Oc1c(OP(=O)(O)O)ccc(OP(=O)(O)O)c1OP(=O)(O)O)(O)O
InChi:InChI=1S/C6H10O16P4/c7-23(8,9)19-3-1-2-4(20-24(10,11)12)6(22-26(16,17)18)5(3)21-25(13,14)15/h1-2H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)
Definition date:2007-03-12
Last modified:2011-06-04
Identifier:benzene-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)]
GVG
GVG
Name:3-METHYL-4-PHENYL-1H-PYRAZOLE
Formula:C10 H10 N2
SMILES:n2c(c(c1ccccc1)cn2)C
InChi:InChI=1S/C10H10N2/c1-8-10(7-11-12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
Definition date:2007-03-19
Last modified:2011-06-04
Identifier:3-methyl-4-phenyl-1H-pyrazole
GVH
GVH
Name:1H-PYRROLO[2,3-B]PYRIDINE
Formula:C7 H6 N2
SMILES:n1cccc2c1ncc2
InChi:InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)
Definition date:2007-03-15
Last modified:2011-06-04
Identifier:1H-pyrrolo[2,3-b]pyridine
GVI
GVI
Name:N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE
Formula:C13 H13 N5
SMILES:n1c(c2ncnc2nc1)c3ccc(cc3)CNC
InChi:InChI=1S/C13H13N5/c1-14-6-9-2-4-10(5-3-9)11-12-13(17-7-15-11)18-8-16-12/h2-5,7-8,14H,6H2,1H3,(H,15,16,17,18)
Definition date:2007-03-15
Last modified:2011-06-04
Identifier:N-methyl-1-[4-(9H-purin-6-yl)phenyl]methanamine
GVJ
GVJ
Name:(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE
Formula:C18 H15 N5
SMILES:n1c(c2ncnc2nc1)c3ccc(cc3)C(c4ccccc4)N
InChi:InChI=1S/C18H15N5/c19-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)16-17-18(22-10-20-16)23-11-21-17/h1-11,15H,19H2,(H,20,21,22,23)/t15-/m0/s1
Definition date:2007-03-15
Last modified:2011-06-04
Identifier:(S)-1-phenyl-1-[4-(9H-purin-6-yl)phenyl]methanamine
GVK
GVK
Name:6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE
Formula:C22 H20 Cl N5
SMILES:Clc1ccc(cc1)C5(c4ccc(c3ncnc2c3ncn2)cc4)CCNCC5
InChi:InChI=1S/C22H20ClN5/c23-18-7-5-17(6-8-18)22(9-11-24-12-10-22)16-3-1-15(2-4-16)19-20-21(27-13-25-19)28-14-26-20/h1-8,13-14,24H,9-12H2,(H,25,26,27,28)
Definition date:2007-03-15
Last modified:2011-06-04
Identifier:6-{4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl}-9H-purine
GVM
GVM
Name:(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACID
Formula:C8 H16 O3
SMILES:O=C(O)CC(O)CC(C)(C)C
InChi:InChI=1S/C8H16O3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3,(H,10,11)/t6-/m0/s1
Definition date:2007-03-15
Last modified:2011-06-04
Identifier:(3R)-3-hydroxy-5,5-dimethylhexanoic acid
GVN
GVN
Name:(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE
Formula:C17 H16 Cl N3
SMILES:Clc1ccc(cc1)C(c3ccc(c2cnnc2)cc3)CN
InChi:InChI=1S/C17H16ClN3/c18-16-7-5-14(6-8-16)17(9-19)13-3-1-12(2-4-13)15-10-20-21-11-15/h1-8,10-11,17H,9,19H2,(H,20,21)/t17-/m1/s1
Definition date:2007-03-19
Last modified:2011-06-04
Identifier:(2R)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
GVO
GVO
Name:(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE
Formula:C17 H16 Cl N3
SMILES:Clc1ccc(cc1)C(c3ccc(c2cnnc2)cc3)CN
InChi:InChI=1S/C17H16ClN3/c18-16-7-5-14(6-8-16)17(9-19)13-3-1-12(2-4-13)15-10-20-21-11-15/h1-8,10-11,17H,9,19H2,(H,20,21)/t17-/m0/s1
Definition date:2007-03-19
Last modified:2011-06-04
Identifier:(2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
GVP
GVP
Name:4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE
Formula:C20 H20 Cl N3
SMILES:Clc1ccc(cc1)C4(c3ccc(c2cnnc2)cc3)CCNCC4
InChi:InChI=1S/C20H20ClN3/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16/h1-8,13-14,22H,9-12H2,(H,23,24)
Definition date:2007-03-19
Last modified:2011-06-04
Identifier:4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
GVQ
GVQ
Name:(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE
Formula:C14 H14 Cl N
SMILES:Clc1ccc(cc1)C(c2ccccc2)CN
InChi:InChI=1S/C14H14ClN/c15-13-8-6-12(7-9-13)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2/t14-/m1/s1
Definition date:2007-03-19
Last modified:2011-06-04
Identifier:(2R)-2-(4-chlorophenyl)-2-phenylethanamine
GVR
GVR
Name:(2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide
Formula:C23 H20 N2 O4 S
SMILES:O=S(=O)(c2cc1ccccc1cc2)NC(C(=O)NO)Cc4ccc3c(cccc3)c4
InChi:InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1
Definition date:2007-10-26
Last modified:2011-06-04
Identifier:(2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide (non-preferred name)
GVS
GVS
Name:ethyl {3-[4-amino-5-{3-[(cyclopropylsulfonyl)amino]prop-1-yn-1-yl}-2-oxopyrimidin-1(2H)-yl]oxetan-3-yl}acetate
Formula:C17 H22 N4 O6 S
SMILES:O=S(=O)(NCC#CC=1C(=NC(=O)N(C=1)C2(COC2)CC(=O)OCC)N)C3CC3
InChi:InChI=1S/C17H22N4O6S/c1-2-27-14(22)8-17(10-26-11-17)21-9-12(15(18)20-16(21)23)4-3-7-19-28(24,25)13-5-6-13/h9,13,19H,2,5-8,10-11H2,1H3,(H2,18,20,23)
Definition date:2007-10-30
Last modified:2011-06-04
Identifier:ethyl {3-[4-amino-5-{3-[(cyclopropylsulfonyl)amino]prop-1-yn-1-yl}-2-oxopyrimidin-1(2H)-yl]oxetan-3-yl}acetate
GVT
GVT
Name:3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-1-ol
Formula:C28 H58 O10
SMILES:O(CCOCCOCCO)CCOCCOCCOCCOCCOCCOCCCCCCCCCC
InChi:InChI=1S/C28H58O10/c1-2-3-4-5-6-7-8-9-11-30-13-15-32-17-19-34-21-23-36-25-27-38-28-26-37-24-22-35-20-18-33-16-14-31-12-10-29/h29H,2-28H2,1H3
Definition date:2008-03-15
Last modified:2011-06-04
Identifier:3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-1-ol
GW4
GW4
Name:N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE
Formula:C36 H35 N3 O4
SMILES:O=C(c1ccccc1)c2ccccc2NC(CNC(=O)C)Cc5ccc(OCCc3nc(oc3C)c4ccccc4)cc5
InChi:InChI=1S/C36H35N3O4/c1-25-33(39-36(43-25)29-13-7-4-8-14-29)21-22-42-31-19-17-27(18-20-31)23-30(24-37-26(2)40)38-34-16-10-9-15-32(34)35(41)28-11-5-3-6-12-28/h3-20,30,38H,21-24H2,1-2H3,(H,37,40)/t30-/m0/s1
Definition date:2007-05-01
Last modified:2011-06-04
Identifier:N-[(2S)-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}-2-{[2-(phenylcarbonyl)phenyl]amino}propyl]acetamide
GWB
GWB
Name:4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-3-ISOPROPYLQUINOLIN-2(1H)-ONE
Formula:C17 H16 F N O2
SMILES:Fc3ccc2c(C(OC#CC1CC1)=C(C(=O)N2)C(C)C)c3
InChi:InChI=1S/C17H16FNO2/c1-10(2)15-16(21-8-7-11-3-4-11)13-9-12(18)5-6-14(13)19-17(15)20/h5-6,9-11H,3-4H2,1-2H3,(H,19,20)
Definition date:2004-07-22
Last modified:2011-06-04
Identifier:4-[(cyclopropylethynyl)oxy]-6-fluoro-3-(1-methylethyl)quinolin-2(1H)-one

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