 | | 2TN | | Name: | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | | Formula: | C14 H22 N2 O3 | | SMILES: | O=C(N)Cc1ccc(OCC(O)CNC(C)C)cc1 | | InChi: | InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m1/s1 | | Synonyms: | ATENOLOL | | Definition date: | 2006-11-16 | | Last modified: | 2021-03-01 | | Identifier: | 2-[4-({(2R)-2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]acetamide |
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 | | FXV | | Name: | METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE | | Formula: | C25 H27 N4 O4 | | SMILES: | O=C(OC)C(Cc1cc(C(=[NH2+])N)ccc1)C(NC(=O)c3ccc(c2cc[n+]([O-])cc2)cc3)C | | InChi: | InChI=1S/C25H26N4O4/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(32)13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,28,30)/p+1/t16-,22-/m1/s1 | | Synonyms: | FXV673 | | Definition date: | 2002-01-31 | | Last modified: | 2021-03-01 | | Identifier: | amino{3-[(2R,3R)-2-(methoxycarbonyl)-3-({[4-(1-oxidopyridin-4-yl)phenyl]carbonyl}amino)butyl]phenyl}methaniminium |
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 | | 2TS | | Name: | (2S)-N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2R)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide | | Formula: | C26 H36 Cl N7 O4 S | | SMILES: | O=C(NCc1cc(Cl)ccc1CN)C3N(C(=O)C(NS(=O)(=O)Cc2ccccc2)CCCNC(=[N@H])N)CCC3 | | InChi: | InChI=1S/C26H36ClN7O4S/c27-21-11-10-19(15-28)20(14-21)16-32-24(35)23-9-5-13-34(23)25(36)22(8-4-12-31-26(29)30)33-39(37,38)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,14,22-23,33H,4-5,8-9,12-13,15-17,28H2,(H,32,35)(H4,29,30,31)/t22-,23+/m1/s1 | | Synonyms: | (S)-1-((R)-5-Guanidino-2-phenylmethanesulfonylamino-pentanoyl)-pyrrolidine-2-carboxylic acid 2aminomethyl-5-chloro-benzylamide | | Definition date: | 2008-10-01 | | Last modified: | 2021-03-01 | | Identifier: | N~2~-(benzylsulfonyl)-D-arginyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide |
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 | | 2TU | | Name: | 1-(beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one | | Formula: | C9 H12 N2 O5 S | | SMILES: | O=C1NC(=S)N(C=C1)C2OC(C(O)C2O)CO | | InChi: | InChI=1S/C9H12N2O5S/c12-3-4-6(14)7(15)8(16-4)11-2-1-5(13)10-9(11)17/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,17)/t4-,6-,7-,8-/m1/s1 | | Synonyms: | 2-thiouridine | | Definition date: | 2011-06-24 | | Last modified: | 2021-03-01 | | Identifier: | 1-(beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one |
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 | | KWM | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[(9~{S},11~{R})-15,16-dimethyl-11-oxidanyl-5,7-bis(oxidanylidene)-9-phenyl-2,4,6,12-tetrazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | | Formula: | C36 H49 N9 O16 P2 | | SMILES: | O=C1NC(=O)NCN(c3c(NC(CC(C1)c2ccccc2)O)cc(C)c(C)c3)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4OC(C(C4O)O)n5cnc6c5ncnc6N | | InChi: | InChI=1S/C36H49N9O16P2/c1-18-8-22-23(9-19(18)2)44(16-41-36(53)43-28(49)11-21(10-27(48)42-22)20-6-4-3-5-7-20)12-24(46)30(50)25(47)13-58-62(54,55)61-63(56,57)59-14-26-31(51)32(52)35(60-26)45-17-40-29-33(37)38-15-39-34(29)45/h3-9,15,17,21,24-27,30-32,35,42,46-48,50-52H,10-14,16H2,1-2H3,(H,54,55)(H,56,57)(H2,37,38,39)(H2,41,43,49,53)/t21-,24-,25+,26+,27+,30-,31+,32+,35+/m0/s1 | | Synonyms: | GSK2879552 | | Definition date: | 2019-01-22 | | Last modified: | 2021-03-01 | | Release date: | 2019-02-13 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(8S,10R)-10-hydroxy-13,14-dimethyl-4,6-dioxo-8-phenyl-2,3,4,5,6,7,8,9,10,11-decahydro-1H-1,3,5,11-benzotetraazacyclotridecin-1-yl]pentyl dihydrogen diphosphate (non-preferred name) |
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 | | 2W2 | | Name: | N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid | | Formula: | C11 H20 N4 O6 | | SMILES: | O=C(O)C(NC(C(=O)O)CCC(=O)O)CCCNC(=[N@H])N | | InChi: | InChI=1S/C11H20N4O6/c12-11(13)14-5-1-2-6(9(18)19)15-7(10(20)21)3-4-8(16)17/h6-7,15H,1-5H2,(H,16,17)(H,18,19)(H,20,21)(H4,12,13,14)/t6-,7+/m0/s1 | | Synonyms: | Nopaline | | Definition date: | 2014-02-28 | | Last modified: | 2021-03-01 | | Release date: | 2014-10-22 | | Identifier: | N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid |
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 | | KYA | | Name: | 4-hydroxyquinoline-2-carboxylic acid | | Formula: | C10 H7 N O3 | | SMILES: | O=C(O)c1nc2ccccc2c(O)c1 | | InChi: | InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14) | | Synonyms: | Kynurenic acid | | Definition date: | 2011-03-15 | | Last modified: | 2021-03-01 | | Identifier: | 4-hydroxyquinoline-2-carboxylic acid |
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 | | 2YD | | Name: | (5R,6R,7S,8R,9R,12S,13E,16S,18S,19R,20aR)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5H)-one | | Formula: | C29 H44 O6 | | SMILES: | O=C1C(=C2OC3(O)C(CC(CC(=CC(C)CCC4OC(C(=C1O)C2C3)C(C)C(O)C4C)C)C)C)C | | InChi: | InChI=1S/C29H44O6/c1-14-8-9-22-18(5)24(30)19(6)28(34-22)23-21-13-29(33,17(4)12-16(3)11-15(2)10-14)35-27(21)20(7)25(31)26(23)32/h10,14,16-19,21-22,24,28,30,32-33H,8-9,11-13H2,1-7H3/b15-10+/t14-,16+,17-,18-,19+,21+,22+,24-,28+,29+/m0/s1 | | Synonyms: | Kendomycin | | Definition date: | 2014-05-01 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-30 | | Identifier: | (5R,6R,7S,8R,9R,12S,13E,16S,18S,19R,20aR)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5H)-one |
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 | | L04 | | Name: | 6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1-PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACID | | Formula: | C43 H48 F N3 O5 | | SMILES: | O=C(Nc1ccccc1)C(NC(=O)C(CCc3ccc(c2ccc(F)cc2)cc3)CC(C(=O)O)CCCCN5C(=O)c4ccccc4C5)CC(C)C | | InChi: | InChI=1S/C43H48FN3O5/c1-29(2)26-39(41(49)45-37-12-4-3-5-13-37)46-40(48)33(20-17-30-15-18-31(19-16-30)32-21-23-36(44)24-22-32)27-34(43(51)52)10-8-9-25-47-28-35-11-6-7-14-38(35)42(47)50/h3-7,11-16,18-19,21-24,29,33-34,39H,8-10,17,20,25-28H2,1-2H3,(H,45,49)(H,46,48)(H,51,52)/t33-,34+,39+/m1/s1 | | Synonyms: | L004 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2S,4R)-6-(4'-fluorobiphenyl-4-yl)-4-{[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl}-2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butyl]hexanoic acid |
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 | | 2YQ | | Name: | (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one | | Formula: | C19 H14 F2 N6 O | | SMILES: | Fc1ccc(cc1)C5Nc2c3c(cc(F)c2)C(=O)NN=C3C5c4ncnn4C | | InChi: | InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1 | | Synonyms: | Talazoparib | | Definition date: | 2014-05-13 | | Last modified: | 2021-03-01 | | Release date: | 2014-09-24 | | Identifier: | (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one |
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 | | 2Z4 | | Name: | benzyl [(1R)-1-({(1S,2S,3S)-1-benzyl-2-hydroxy-4-({(1S)-1-[(2-hydroxy-4-methoxybenzyl)carbamoyl]-2-methylpropyl}amino)-3-[(4-methoxybenzyl)amino]-4-oxobutyl}carbamoyl)-2,2-dimethylpropyl]carbamate | | Formula: | C46 H59 N5 O9 | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(Cc2ccccc2)C(O)C(NCc3ccc(OC)cc3)C(=O)NC(C(=O)NCc4ccc(OC)cc4O)C(C)C)C(C)(C)C | | InChi: | InChI=1S/C46H59N5O9/c1-29(2)38(42(54)48-27-33-20-23-35(59-7)25-37(33)52)50-43(55)39(47-26-31-18-21-34(58-6)22-19-31)40(53)36(24-30-14-10-8-11-15-30)49-44(56)41(46(3,4)5)51-45(57)60-28-32-16-12-9-13-17-32/h8-23,25,29,36,38-41,47,52-53H,24,26-28H2,1-7H3,(H,48,54)(H,49,56)(H,50,55)(H,51,57)/t36-,38-,39+,40+,41+/m0/s1 | | Synonyms: | SDZ283-910 | | Definition date: | 2008-08-28 | | Last modified: | 2021-03-01 | | Identifier: | benzyl [(1S)-1-({(1S,2R,3R)-1-benzyl-2-hydroxy-4-({(1S)-1-[(2-hydroxy-4-methoxybenzyl)carbamoyl]-2-methylpropyl}amino)-3-[(4-methoxybenzyl)amino]-4-oxobutyl}carbamoyl)-2,2-dimethylpropyl]carbamate |
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 | | L0S | | Name: | methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate | | Formula: | C8 H19 N2 O2 P | | SMILES: | COP(/N=C(/N(CC)CC)C)(=O)C | | InChi: | InChI=1S/C8H19N2O2P/c1-6-10(7-2)8(3)9-13(5,11)12-4/h6-7H2,1-5H3/b9-8+/t13-/m1/s1 | | Synonyms: | A-232 | | Definition date: | 2019-01-30 | | Last modified: | 2021-03-01 | | Release date: | 2020-07-01 | | Identifier: | methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate |
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 | | L37 | | Name: | [[N'-(2,5-DIAMINO-6-HYDROXY-PYRIMIDIN-4-YL)-UREAYL]-PHEN-4-YL]-CARBONYL-GLUTAMIC ACID | | Formula: | C17 H19 N7 O7 | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)NC(=O)Nc2nc(nc(O)c2N)N)CCC(=O)O | | InChi: | InChI=1S/C17H19N7O7/c18-11-12(22-16(19)24-14(11)28)23-17(31)20-8-3-1-7(2-4-8)13(27)21-9(15(29)30)5-6-10(25)26/h1-4,9H,5-6,18H2,(H,21,27)(H,25,26)(H,29,30)(H5,19,20,22,23,24,28,31)/t9-/m0/s1 | | Synonyms: | LY374571 | | Definition date: | 1999-12-15 | | Last modified: | 2021-03-01 | | Identifier: | N-[(4-{[(2,5-diamino-6-hydroxypyrimidin-4-yl)carbamoyl]amino}phenyl)carbonyl]-L-glutamic acid |
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 | | L3A | | Name: | (2R)-3-[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid | | Formula: | C9 H20 N O4 P | | SMILES: | O=P(O)(C(N)CC(C)C)CC(C(=O)O)C | | InChi: | InChI=1S/C9H20NO4P/c1-6(2)4-8(10)15(13,14)5-7(3)9(11)12/h6-8H,4-5,10H2,1-3H3,(H,11,12)(H,13,14)/t7-,8+/m0/s1 | | Synonyms: | L-LEU-D-ALA PHOSPHINATE PSEUDODIPEPTIDE | | Definition date: | 2010-06-18 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-3-[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid |
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 | | 325 | | Name: | N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide | | Formula: | C21 H16 F2 N4 O3 S | | SMILES: | O=S(=O)(Nc1ccc(F)c(c1F)C(=O)c3c2cc(cnc2nc3)c4cccnc4)CC | | InChi: | InChI=1S/C21H16F2N4O3S/c1-2-31(29,30)27-17-6-5-16(22)18(19(17)23)20(28)15-11-26-21-14(15)8-13(10-25-21)12-4-3-7-24-9-12/h3-11,27H,2H2,1H3,(H,25,26) | | Synonyms: | PLX3203 | | Definition date: | 2008-02-07 | | Last modified: | 2021-03-01 | | Identifier: | N-(2,4-difluoro-3-{[5-(pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}phenyl)ethanesulfonamide |
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 | | 32H | | Name: | 2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile | | Formula: | C14 H6 Br2 N2 O2 S | | SMILES: | Brc3ccc(c1c2C(O)=C(C#N)C(=O)Nc2sc1Br)cc3 | | InChi: | InChI=1S/C14H6Br2N2O2S/c15-7-3-1-6(2-4-7)9-10-11(19)8(5-17)13(20)18-14(10)21-12(9)16/h1-4H,(H2,18,19,20) | | Synonyms: | Br2-A769662core | | Definition date: | 2014-05-23 | | Last modified: | 2021-03-01 | | Release date: | 2014-08-06 | | Identifier: | 2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile |
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 | | 32J | | Name: | 2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile | | Formula: | C20 H11 Cl N2 O3 S | | SMILES: | N#CC4=C(O)c1c(sc(Cl)c1c3ccc(c2ccccc2O)cc3)NC4=O | | InChi: | InChI=1S/C20H11ClN2O3S/c21-18-15(16-17(25)13(9-22)19(26)23-20(16)27-18)11-7-5-10(6-8-11)12-3-1-2-4-14(12)24/h1-8,24H,(H2,23,25,26) | | Synonyms: | Cl-A769662 | | Definition date: | 2014-05-23 | | Last modified: | 2021-03-01 | | Release date: | 2014-08-06 | | Identifier: | 2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile |
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 | | 336 | | Name: | 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE | | Formula: | C27 H31 Br2 Cl N4 O2 | | SMILES: | O=C(N4CCC(C3c1c(Br)cc(Cl)cc1CCc2cc(Br)cnc23)CC4)CC5CCN(C(=O)N)CC5 | | InChi: | InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1 | | Synonyms: | SCH66336 | | Definition date: | 2003-10-06 | | Last modified: | 2021-03-01 | | Identifier: | 4-(2-{4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]piperidin-1-yl}-2-oxoethyl)piperidine-1-carboxamide |
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 | | 33O | | Name: | 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol | | Formula: | C26 H54 O14 | | SMILES: | O(CCOCCOCCOCCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO | | InChi: | InChI=1S/C26H54O14/c27-1-3-29-5-7-31-9-11-33-13-15-35-17-19-37-21-23-39-25-26-40-24-22-38-20-18-36-16-14-34-12-10-32-8-6-30-4-2-28/h27-28H,1-26H2 | | Synonyms: | Tridecaethyleneglycol | | Definition date: | 2014-06-10 | | Last modified: | 2021-03-01 | | Release date: | 2015-07-29 | | Identifier: | 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol |
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 | | 35P | | Name: | (2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid | | Formula: | C16 H20 N2 O5 S | | SMILES: | c1c(cccc1)OCC(=O)NC(C2NC(C(S2)(C)C)C(O)=O)C=O | | InChi: | InChI=1S/C16H20N2O5S/c1-16(2)13(15(21)22)18-14(24-16)11(8-19)17-12(20)9-23-10-6-4-3-5-7-10/h3-8,11,13-14,18H,9H2,1-2H3,(H,17,20)(H,21,22)/t11-,13+,14-/m1/s1 | | Synonyms: | OPEN FORM - PENICILLIN V | | Definition date: | 2014-06-19 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-08 | | Identifier: | (2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid |
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 | | L7O | | Name: | N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide | | Formula: | C22 H24 N6 O2 | | SMILES: | O=C2NC=C(c1nc(ncc1)NC)C=C2NC(=O)c3ccc(cc3)N4CCCCC4 | | InChi: | InChI=1S/C22H24N6O2/c1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,30)(H,26,29)(H,23,24,27) | | Synonyms: | 3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylamino)pyrimidin-4-yl)-(1H)-pyridin-2-one | | Definition date: | 2011-05-26 | | Last modified: | 2021-03-01 | | Identifier: | N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide |
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 | | L9R | | Name: | (2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | | Formula: | C44 H86 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,42H,6-20,22,24-41H2,1-5H3/b23-21-/t42-/m0/s1 | | Synonyms: | 1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine | | Definition date: | 2010-03-19 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate |
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 | | IFC | | Name: | N-[2-methyl-5-({[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole-5-carboxamide | | Formula: | C23 H18 F3 N5 O3 | | SMILES: | O=C(Nc3cc(NC(=O)c2cc(n1cc(nc1)C)cc(c2)C(F)(F)F)ccc3C)c4oncc4 | | InChi: | InChI=1S/C23H18F3N5O3/c1-13-3-4-17(10-19(13)30-22(33)20-5-6-28-34-20)29-21(32)15-7-16(23(24,25)26)9-18(8-15)31-11-14(2)27-12-31/h3-12H,1-2H3,(H,29,32)(H,30,33) | | Synonyms: | N-(2-methyl-5-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzamido)phenyl)isoxazole-5-carboxamide | | Definition date: | 2008-08-01 | | Last modified: | 2021-03-01 | | Identifier: | N-[2-methyl-5-({[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole-5-carboxamide |
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 | | IFS | | Name: | bis(1-methylethyl) [2-(sulfanylmethyl)phenyl]phosphonate | | Formula: | C13 H21 O3 P S | | SMILES: | O=P(OC(C)C)(OC(C)C)c1ccccc1CS | | InChi: | InChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)13-8-6-5-7-12(13)9-18/h5-8,10-11,18H,9H2,1-4H3 | | Synonyms: | Diisopropyl 2-(sulfanylmethyl)phenylphosphonate | | Definition date: | 2009-08-18 | | Last modified: | 2021-03-01 | | Identifier: | dipropan-2-yl [2-(sulfanylmethyl)phenyl]phosphonate |
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 | | IGA | | Name: | 6-amino-3,7-dihydro-2H-purin-2-one | | Formula: | C5 H5 N5 O | | SMILES: | O=C2N=C(c1c(ncn1)N2)N | | InChi: | InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11) | | Synonyms: | Isoguanine | | Definition date: | 2011-04-28 | | Last modified: | 2021-03-01 | | Identifier: | 6-amino-3,7-dihydro-2H-purin-2-one |
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