 | | LP5 | | Name: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE | | Formula: | C34 H66 N O12 P | | SMILES: | O=P(OC1OC(C(O)C(OC(=O)CC(O)CCCCCCCCCCC)C1NC(=O)CC(O)CCCCCCCCCCC)CO)(O)O | | InChi: | InChI=1S/C34H66NO12P/c1-3-5-7-9-11-13-15-17-19-21-26(37)23-29(39)35-31-33(32(41)28(25-36)45-34(31)47-48(42,43)44)46-30(40)24-27(38)22-20-18-16-14-12-10-8-6-4-2/h26-28,31-34,36-38,41H,3-25H2,1-2H3,(H,35,39)(H2,42,43,44)/t26-,27-,28-,31-,32-,33-,34-/m1/s1 | | Definition date: | 2006-12-26 | | Last modified: | 2011-06-04 | | Identifier: | 2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose |
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 | | LP7 | | Name: | ethyl 1,4-dihydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate | | Formula: | C11 H12 N2 O5 | | SMILES: | CCOC(=O)[CH]1[CH](O)c2cccnc2N(O)C1=O | | InChi: | InChI=1S/C11H12N2O5/c1-2-18-11(16)7-8(14)6-4-3-5-12-9(6)13(17)10(7)15/h3-5,7-8,14,17H,2H2,1H3/t7-,8-/m0/s1 | | Definition date: | 2010-02-10 | | Last modified: | 2011-06-04 | | Identifier: | ethyl (3S)-1,4-dihydroxy-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxylate |
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 | | LPX | | Name: | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate | | Formula: | C21 H44 N O7 P | | SMILES: | O=C(OCC(O)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m0/s1 | | Definition date: | 2008-05-01 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate |
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 | | LRG | | Name: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | | Formula: | C21 H18 O3 | | SMILES: | O=C(O)C(Oc1ccc(cc1)c2ccccc2)Cc3ccccc3 | | InChi: | InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1 | | Definition date: | 2007-10-24 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid |
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 | | LS3 | | Name: | 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE | | Formula: | C20 H15 N3 O4 S | | SMILES: | O=C3Nc2ccc(c1ocnc1)cc2/C3=C/Nc4ccc5c(c4)CS(=O)(=O)C5 | | InChi: | InChI=1S/C20H15N3O4S/c24-20-17(7-22-15-3-1-13-9-28(25,26)10-14(13)5-15)16-6-12(2-4-18(16)23-20)19-8-21-11-27-19/h1-8,11,22H,9-10H2,(H,23,24)/b17-7- | | Definition date: | 2001-11-21 | | Last modified: | 2011-06-04 | | Identifier: | (3Z)-3-{[(2,2-dioxido-1,3-dihydro-2-benzothiophen-5-yl)amino]methylidene}-5-(1,3-oxazol-5-yl)-1,3-dihydro-2H-indol-2-one |
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 | | LS4 | | Name: | 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE | | Formula: | C18 H14 N4 O3 S2 | | SMILES: | O=S(=O)(Nc1nccs1)c4ccc(N/C=C3/c2ccccc2NC3=O)cc4 | | InChi: | InChI=1S/C18H14N4O3S2/c23-17-15(14-3-1-2-4-16(14)21-17)11-20-12-5-7-13(8-6-12)27(24,25)22-18-19-9-10-26-18/h1-11,20H,(H,19,22)(H,21,23)/b15-11- | | Definition date: | 2001-11-19 | | Last modified: | 2011-06-04 | | Identifier: | 4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}-N-1,3-thiazol-2-ylbenzenesulfonamide |
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 | | LS5 | | Name: | 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE | | Formula: | C16 H15 N5 O3 S | | SMILES: | O=S(=O)(NC(=[N@H])N)c1ccc(cc1)N/C=C3/c2ccccc2NC3=O | | InChi: | InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,19H,(H,20,22)(H4,17,18,21)/b13-9- | | Definition date: | 2001-11-21 | | Last modified: | 2011-06-04 | | Identifier: | N-carbamimidoyl-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide |
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 | | LSG | | Name: | 5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1-methyl-1H-pyrrole-3-carboxamide | | Formula: | C16 H17 F I N3 O4 | | SMILES: | Ic1ccc(c(F)c1)Nc2c(cc(C(=O)C)n2C)C(=O)NOCCO | | InChi: | InChI=1S/C16H17FIN3O4/c1-9(23)14-8-11(16(24)20-25-6-5-22)15(21(14)2)19-13-4-3-10(18)7-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,24) | | Definition date: | 2010-04-08 | | Last modified: | 2011-06-04 | | Identifier: | 5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1-methyl-1H-pyrrole-3-carboxamide |
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 | | LSW | | Name: | N~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-tryptophan | | Formula: | C27 H34 N4 O5 | | SMILES: | NCCCC[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N[CH](Cc2c[nH]c3ccccc23)C(O)=O | | InChi: | InChI=1S/C27H34N4O5/c28-15-7-6-12-22(30-23(26(33)34)14-13-18-8-2-1-3-9-18)25(32)31-24(27(35)36)16-19-17-29-21-11-5-4-10-20(19)21/h1-5,8-11,17,22-24,29-30H,6-7,12-16,28H2,(H,31,32)(H,33,34)(H,35,36)/t22-,23-,24-/m0/s1 | | Definition date: | 2010-02-23 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2-[[(2S)-6-azanyl-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxo-propan-2-yl]amino]-1-oxo-hexan-2-yl]amino]-4-phenyl-butanoic acid |
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 | | LT1 | | Name: | (3-chloropropyl)benzene | | Formula: | C9 H11 Cl | | SMILES: | ClCCCc1ccccc1 | | InChi: | InChI=1S/C9H11Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 | | Definition date: | 2009-02-17 | | Last modified: | 2011-06-04 | | Identifier: | (3-chloropropyl)benzene |
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 | | LT2 | | Name: | (3S)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione | | Formula: | C8 H7 N O3 | | SMILES: | O=C1C=C2C(=CC1=O)NCC2O | | InChi: | InChI=1S/C8H7NO3/c10-6-1-4-5(2-7(6)11)9-3-8(4)12/h1-2,8-9,12H,3H2/t8-/m1/s1 | | Definition date: | 2009-05-08 | | Last modified: | 2011-06-04 | | Identifier: | (3S)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione |
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 | | LT3 | | Name: | (1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine | | Formula: | C12 H12 F3 N | | SMILES: | FC(F)(F)c1cccc2c1C3CCC2C3N | | InChi: | InChI=1S/C12H12F3N/c13-12(14,15)9-3-1-2-6-7-4-5-8(10(6)9)11(7)16/h1-3,7-8,11H,4-5,16H2/t7-,8+,11-/m0/s1 | | Definition date: | 2009-05-08 | | Last modified: | 2011-06-04 | | Identifier: | (1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine |
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 | | LT6 | | Name: | 2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-N-butyl-6-fluoro-N-methylbenzamide | | Formula: | C23 H29 F N2 O4 | | SMILES: | CCCCN(C)C(=O)c1c(F)cccc1OCC(=O)N[CH](CO)Cc2ccccc2 | | InChi: | InChI=1S/C23H29FN2O4/c1-3-4-13-26(2)23(29)22-19(24)11-8-12-20(22)30-16-21(28)25-18(15-27)14-17-9-6-5-7-10-17/h5-12,18,27H,3-4,13-16H2,1-2H3,(H,25,28)/t18-/m0/s1 | | Definition date: | 2010-02-03 | | Last modified: | 2011-06-04 | | Identifier: | N-butyl-2-fluoro-6-[2-[[(2S)-1-hydroxy-3-phenyl-propan-2-yl]amino]-2-oxo-ethoxy]-N-methyl-benzamide |
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 | | LTN | | Name: | L-TRYPTOPHANAMIDE | | Formula: | C11 H13 N3 O | | SMILES: | O=C(N)C(N)Cc2c1ccccc1nc2 | | InChi: | InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1 | | Definition date: | 2002-08-08 | | Last modified: | 2011-06-04 | | Identifier: | L-tryptophanamide |
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 | | 9TA | | Name: | 1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-ETHYLAMINO]-ANTHRAQUINONE | | Formula: | C14 H8 O2 | | SMILES: | O=C2c1c(cccc1)C(=O)c3c2cccc3 | | InChi: | InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H | | Definition date: | 2000-07-28 | | Last modified: | 2011-06-04 | | Identifier: | anthracene-9,10-dione |
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 | | LUG | | Name: | N-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine | | Formula: | C16 H13 F3 I N5 O | | SMILES: | Ic1ccc(c(F)c1)Nc3c(F)c(F)ccc3c2nnc(o2)NCCN | | InChi: | InChI=1S/C16H13F3IN5O/c17-10-3-2-9(15-24-25-16(26-15)22-6-5-21)14(13(10)19)23-12-4-1-8(20)7-11(12)18/h1-4,7,23H,5-6,21H2,(H,22,25) | | Definition date: | 2008-10-01 | | Last modified: | 2011-06-04 | | Identifier: | N-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine |
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 | | LWG | | Name: | 6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one | | Formula: | C10 H4 Cl2 N2 O S | | SMILES: | Clc2c3sc1c(N=CNC1=O)c3c(Cl)cc2 | | InChi: | InChI=1S/C10H4Cl2N2OS/c11-4-1-2-5(12)8-6(4)7-9(16-8)10(15)14-3-13-7/h1-3H,(H,13,14,15) | | Definition date: | 2009-09-22 | | Last modified: | 2011-06-04 | | Identifier: | 6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
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 | | LWH | | Name: | 4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol | | Formula: | C21 H20 N6 O | | SMILES: | n1c(nc3c(c1NC2CCNC2)cccc3)c5cc(c4ccnn4)ccc5O | | InChi: | InChI=1S/C21H20N6O/c28-19-6-5-13(17-8-10-23-27-17)11-16(19)21-25-18-4-2-1-3-15(18)20(26-21)24-14-7-9-22-12-14/h1-6,8,10-11,14,22,28H,7,9,12H2,(H,23,27)(H,24,25,26)/t14-/m0/s1 | | Definition date: | 2010-07-26 | | Last modified: | 2011-06-04 | | Identifier: | 4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol |
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 | | LWY | | Name: | 1-[(R)-hydroxy(methyl)phosphoryl]-L-proline | | Formula: | C6 H12 N O4 P | | SMILES: | C[P](O)(=O)N1CCC[CH]1C(O)=O | | InChi: | InChI=1S/C6H12NO4P/c1-12(10,11)7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1 | | Definition date: | 2010-02-26 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-1-[hydroxy(methyl)phosphoryl]pyrrolidine-2-carboxylic acid |
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 | | LX2 | | Name: | [4-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)-1H-indol-1-yl]acetic acid | | Formula: | C35 H32 Cl F3 N2 O3 | | SMILES: | FC(F)(F)c1cccc(c1Cl)CN(CC(c2ccccc2)c3ccccc3)CCCOc4cccc5c4ccn5CC(=O)O | | InChi: | InChI=1S/C35H32ClF3N2O3/c36-34-27(14-7-15-30(34)35(37,38)39)22-40(23-29(25-10-3-1-4-11-25)26-12-5-2-6-13-26)19-9-21-44-32-17-8-16-31-28(32)18-20-41(31)24-33(42)43/h1-8,10-18,20,29H,9,19,21-24H2,(H,42,43) | | Definition date: | 2008-11-24 | | Last modified: | 2011-06-04 | | Identifier: | [4-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)-1H-indol-1-yl]acetic acid |
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 | | LX9 | | Name: | 6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one | | Formula: | C26 H21 N5 O | | SMILES: | Nc1nn(cc1c2ccc3C(=O)NCCc3c2)c4cccc(c4)c5ccc6cc[nH]c6c5 | | InChi: | InChI=1S/C26H21N5O/c27-25-23(19-6-7-22-20(12-19)9-11-29-26(22)32)15-31(30-25)21-3-1-2-17(13-21)18-5-4-16-8-10-28-24(16)14-18/h1-8,10,12-15,28H,9,11H2,(H2,27,30)(H,29,32) | | Definition date: | 2009-11-04 | | Last modified: | 2011-06-04 | | Identifier: | 6-[3-azanyl-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one |
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 | | 2PB | | Name: | 2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE | | Formula: | C7 H5 O5 P | | SMILES: | O=P([O-])Oc1ccccc1C([O-])=O | | InChi: | InChI=1S/C7H7O5P/c8-7(9)5-3-1-2-4-6(5)12-13(10)11/h1-4,13H,(H,8,9)(H,10,11)/p-2 | | Definition date: | 2004-03-26 | | Last modified: | 2011-06-04 | | Identifier: | 2-[(dioxidophosphanyl)oxy]benzoate |
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 | | 2PC | | Name: | 3,4-DIHYDRO-2H-PYRROLIUM-5-CARBOXYLATE | | Formula: | C5 H7 N O2 | | SMILES: | [O-]C(=O)C1=[NH+]CCC1 | | InChi: | InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-3H2,(H,7,8) | | Definition date: | 2000-05-15 | | Last modified: | 2011-06-04 | | Identifier: | 3,4-dihydro-2H-pyrrolium-5-carboxylate |
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 | | LXG | | Name: | 8-[(E)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one | | Formula: | C18 H19 N3 O S | | SMILES: | O=C2NC(=Nc1c4c(sc12)ccc(/C=C/C3CC3)c4)CN(C)C | | InChi: | InChI=1S/C18H19N3OS/c1-21(2)10-15-19-16-13-9-12(6-5-11-3-4-11)7-8-14(13)23-17(16)18(22)20-15/h5-9,11H,3-4,10H2,1-2H3,(H,19,20,22)/b6-5+ | | Definition date: | 2009-09-22 | | Last modified: | 2011-06-04 | | Identifier: | 8-[(E)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
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 | | 2PH | | Name: | [7,8-DIHYDRO-PTERIN-6-YL METHANYL]-PHOSPHONOPHOSPHATE | | Formula: | C7 H11 N5 O8 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC1=NC=2C(=O)NC(=NC=2NC1)N | | InChi: | InChI=1S/C7H11N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1-2H2,(H,17,18)(H2,14,15,16)(H4,8,9,11,12,13) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl trihydrogen diphosphate |
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