 | | OLC | | Name: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | | Formula: | C21 H40 O4 | | SMILES: | O=C(OCC(O)CO)CCCCCCCC=C/CCCCCCCC | | InChi: | InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1 | | Synonyms: | 1-Oleoyl-R-glycerol | | Definition date: | 2008-05-22 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate |
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 | | GKM | | Name: | 1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | | Formula: | C39 H52 N6 O9 S | | SMILES: | C4CC(C(N6CC(Oc2nc1cc(OC)ccc1nc2C)CC6C(NC3(C(C3)C=CCCC4)C(NS(C5(C)CC5)(=O)=O)=O)=O)=O)NC(OC7(C)CCCC7)=O | | InChi: | InChI=1S/C39H52N6O9S/c1-24-33(41-30-20-26(52-4)14-15-28(30)40-24)53-27-21-31-32(46)43-39(35(48)44-55(50,51)38(3)18-19-38)22-25(39)12-8-6-5-7-9-13-29(34(47)45(31)23-27)42-36(49)54-37(2)16-10-11-17-37/h8,12,14-15,20,25,27,29,31H,5-7,9-11,13,16-19,21-23H2,1-4H3,(H,42,49)(H,43,46)(H,44,48)/b12-8-/t25-,27-,29+,31+,39-/m1/s1 | | Synonyms: | P4-3(AJ-74) | | Definition date: | 2018-05-24 | | Last modified: | 2021-03-01 | | Release date: | 2019-07-31 | | Identifier: | 1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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 | | HM6 | | Name: | 4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid | | Formula: | C10 H8 N4 O5 | | SMILES: | O=C(O)c1nc(cc(c1)n2nnc(c2)CO)C(=O)O | | InChi: | InChI=1S/C10H8N4O5/c15-4-5-3-14(13-12-5)6-1-7(9(16)17)11-8(2-6)10(18)19/h1-3,15H,4H2,(H,16,17)(H,18,19) | | Synonyms: | HYDROXYMETHYLTRIAZOLE DIPICOLINIC ACID | | Definition date: | 2012-09-13 | | Last modified: | 2021-03-01 | | Release date: | 2012-11-09 | | Identifier: | 4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]pyridine-2,6-dicarboxylic acid |
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 | | VWJ | | Name: | N-(propan-2-yl)-1H-benzimidazol-2-amine | | Formula: | C10 H13 N3 | | SMILES: | N(c1nc2c(n1)cccc2)C(C)C | | InChi: | InChI=1S/C10H13N3/c1-7(2)11-10-12-8-5-3-4-6-9(8)13-10/h3-7H,1-2H3,(H2,11,12,13) | | Definition date: | 2020-09-17 | | Last modified: | 2020-09-25 | | Release date: | 2020-09-30 | | Identifier: | N-(propan-2-yl)-1H-benzimidazol-2-amine |
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 | | F1P | | Name: | 1-O-phosphono-beta-D-fructopyranose | | Formula: | C6 H13 O9 P | | SMILES: | O=P(O)(O)OCC1(O)OCC(O)C(O)C1O | | InChi: | InChI=1S/C6H13O9P/c7-3-1-14-6(10,5(9)4(3)8)2-15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1 | | Synonyms: | BETA-D-FRUCTOPYRANOSE-1-PHOSPHATE | | Definition date: | 2006-02-28 | | Last modified: | 2020-07-17 | | Identifier: | 1-O-phosphono-beta-D-fructopyranose |
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 | | A6L | | Name: | 2,3-dihydroxypropyl (9Z)-octadec-9-enoate | | Formula: | C21 H40 O4 | | SMILES: | C(C(OCC(CO)O)=O)CCCCCCC=C/CCCCCCCC | | InChi: | InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9- | | Synonyms: | monoolein | | Definition date: | 2018-10-02 | | Last modified: | 2020-06-17 | | Release date: | 2019-02-13 | | Identifier: | 2,3-dihydroxypropyl (9Z)-octadec-9-enoate |
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 | | PGK | | Name: | (1R)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL
(9S,10S)-9,10-DIBROMOOCTADECANOATE | | Formula: | C40 H77 Br2 O10 P | | SMILES: | BrC(CCCCCCCC)C(Br)CCCCCCCC(=O)OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C40H77Br2O10P/c1-3-5-7-9-11-12-13-14-15-16-17-21-25-29-39(45)49-33-36(34-51-53(47,48)50-32-35(44)31-43)52-40(46)30-26-22-18-20-24-28-38(42)37(41)27-23-19-10-8-6-4-2/h35-38,43-44H,3-34H2,1-2H3,(H,47,48)/t35-,36-,37+,38+/m1/s1 | | Synonyms: | DIBROMINATED PHOSPHATIDYLGLYCEROL | | Definition date: | 2006-07-06 | | Last modified: | 2020-06-17 | | Identifier: | (1R)-2-{[(S)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9S,10S)-9,10-dibromooctadecanoate |
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 | | MLG | | Name: | N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-METHYL-N-PROP-2-YNYLAMINE | | Formula: | C13 H15 Cl2 N O | | SMILES: | Clc1cc(Cl)ccc1OCCCN(CC#C)C | | InChi: | InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3 | | Synonyms: | N-METHYL-N-PROPARGYL-3-(2,4-DICHLOROPHENOXY)PROPYLAMINE | | Definition date: | 2003-10-08 | | Last modified: | 2020-06-17 | | Identifier: | N-[3-(2,4-dichlorophenoxy)propyl]-N-methylprop-2-yn-1-amine |
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 | | RNA | | Name: | 4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE | | Formula: | C16 H14 N2 O4 S2 | | SMILES: | O=C1N=C(S/C1=Cc2oc(cc2)C)NS(=O)(=O)c3ccc(cc3)C | | InChi: | InChI=1S/C16H14N2O4S2/c1-10-3-7-13(8-4-10)24(20,21)18-16-17-15(19)14(23-16)9-12-6-5-11(2)22-12/h3-9H,1-2H3,(H,17,18,19)/b14-9- | | Synonyms: | (Z)-4-METHYL-N-(5-((5-METHYLFURAN-2-YL)METHYLENE)-4-OXO-4,5-DIHYDROTHIAZOL-2-YL)BENZENESULFONAMIDE | | Definition date: | 2006-08-02 | | Last modified: | 2020-06-17 | | Identifier: | 4-methyl-N-{(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}benzenesulfonamide |
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 | | CYT | | Name: | 6-AMINOPYRIMIDIN-2(1H)-ONE | | Formula: | C4 H5 N3 O | | SMILES: | O=C1N=CC=C(N)N1 | | InChi: | InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8) | | Synonyms: | CYTOSINE | | Definition date: | 2007-01-29 | | Last modified: | 2020-06-17 | | Identifier: | 6-aminopyrimidin-2(1H)-one |
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 | | GTG | | Name: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE | | Formula: | C21 H30 N10 O18 P3 | | SMILES: | O=C1NC(=Nc2c1[n+](cn2C3OC(C(O)C3O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4=O)C(O)C6O)C)N | | InChi: | InChI=1S/C21H29N10O18P3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(47-19)3-45-51(40,41)49-52(42,43)48-50(38,39)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p+1/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1 | | Synonyms: | MRNA CAP ANALOG N7-METHYL GPPPG | | Definition date: | 2002-11-04 | | Last modified: | 2020-06-17 | | Identifier: | 2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[{[(R)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium (non-preferred name) |
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 | | NN5 | | Name: | [4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone | | Formula: | C25 H25 N5 O3 | | SMILES: | Cc1cc(cc(C)c1O)c2ccc3nc(Nc4ccc(cc4)C(=O)N5CCOCC5)nn3c2 | | InChi: | InChI=1S/C25H25N5O3/c1-16-13-20(14-17(2)23(16)31)19-5-8-22-27-25(28-30(22)15-19)26-21-6-3-18(4-7-21)24(32)29-9-11-33-12-10-29/h3-8,13-15,31H,9-12H2,1-2H3,(H,26,28) | | Definition date: | 2019-12-06 | | Last modified: | 2020-05-08 | | Release date: | 2020-05-13 | | Identifier: | [4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone |
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 | | F8L | | Name: | [(2Z,6E,10E,14Z,18E,22Z,26Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] [(2S,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] hydrogen phosphate | | Formula: | C55 H91 O8 P | | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH]1O | | InChi: | InChI=1S/C55H91O8P/c1-42(2)21-12-22-43(3)23-13-24-44(4)25-14-26-45(5)27-15-28-46(6)29-16-30-47(7)31-17-32-48(8)33-18-34-49(9)35-19-36-50(10)37-20-38-51(11)39-40-61-64(59,60)63-55-54(58)53(57)52(41-56)62-55/h21,23,25,27,29,31,33,35,37,39,52-58H,12-20,22,24,26,28,30,32,34,36,38,40-41H2,1-11H3,(H,59,60)/b43-23?,44-25?,45-27-,46-29-,47-31+,48-33-,49-35+,50-37+,51-39-/t52-,53-,54+,55+/m1/s1 | | Definition date: | 2020-04-14 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | [(2~{Z},6~{E},10~{E},14~{Z},18~{E},22~{Z},26~{Z})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] [(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] hydrogen phosphate |
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 | | KA2 | | Name: | 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol | | Formula: | C21 H22 N4 O4 S2 | | SMILES: | CC(C)(C)[S](=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO | | InChi: | InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25) | | Definition date: | 2019-05-08 | | Last modified: | 2019-07-12 | | Release date: | 2019-07-17 | | Identifier: | 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol |
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 | | 8Y5 | | Name: | ~{N}-[4-[2-[(3-cyanophenyl)methoxy]pyridin-3-yl]thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide | | Formula: | C27 H23 N3 O4 S2 | | SMILES: | CC[S](=O)(=O)c1ccc(CC(=O)Nc2scc(c2)c3cccnc3OCc4cccc(c4)C#N)cc1 | | InChi: | InChI=1S/C27H23N3O4S2/c1-2-36(32,33)23-10-8-19(9-11-23)14-25(31)30-26-15-22(18-35-26)24-7-4-12-29-27(24)34-17-21-6-3-5-20(13-21)16-28/h3-13,15,18H,2,14,17H2,1H3,(H,30,31) | | Definition date: | 2017-03-23 | | Last modified: | 2018-08-17 | | Release date: | 2018-08-22 | | Identifier: | ~{N}-[4-[2-[(3-cyanophenyl)methoxy]pyridin-3-yl]thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide |
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 | | DV3 | | Name: | 1,4-anhydro-2-deoxy-5-O-thiophosphono-D-erythro-pentitol | | Formula: | C5 H11 O5 P S | | SMILES: | O(P(S)(O)=O)CC1OCCC1O | | InChi: | InChI=1S/C5H11O5PS/c6-4-1-2-9-5(4)3-10-11(7,8)12/h4-6H,1-3H2,(H2,7,8,12)/t4-,5+/m0/s1 | | Definition date: | 2017-11-22 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 1,4-anhydro-2-deoxy-5-O-thiophosphono-D-erythro-pentitol |
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 | | 5Y9 | | Name: | ~{N},~{N}-dimethylethanamide | | Formula: | C4 H9 N O | | SMILES: | CN(C)C(C)=O | | InChi: | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | | Definition date: | 2016-01-05 | | Last modified: | 2017-01-20 | | Release date: | 2017-01-25 | | Identifier: | ~{N},~{N}-dimethylethanamide |
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 | | 5JD | | Name: | 3,4-dichlorophenol | | Formula: | C6 H4 Cl2 O | | SMILES: | c1c(Cl)c(Cl)ccc1O | | InChi: | InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H | | Definition date: | 2015-09-30 | | Last modified: | 2016-09-30 | | Release date: | 2016-10-05 | | Identifier: | 3,4-dichlorophenol |
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 | | GWX | | Name: | (2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC ACID | | Formula: | C26 H46 N4 O4 | | SMILES: | CC1(C)[CH]2CC[C]1(C)[CH](C2)NC(=O)[CH](CC3CCCCC3)NC(=O)N[CH](CCCCN)C(O)=O | | InChi: | InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)21(16-18)30-22(31)20(15-17-9-5-4-6-10-17)29-24(34)28-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,30,31)(H,32,33)(H2,28,29,34)/t18-,19+,20-,21+,26+/m1/s1 | | Definition date: | 2015-03-27 | | Last modified: | 2015-05-29 | | Release date: | 2015-06-03 | | Identifier: | (2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-oxidanylidene-1-[[(1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]amino]propan-2-yl]carbamoylamino]hexanoic acid |
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 | | 49G | | Name: | N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine | | Formula: | C13 H17 N3 | | SMILES: | n1c(ccn1C)CNCCc2ccccc2 | | InChi: | InChI=1S/C13H17N3/c1-16-10-8-13(15-16)11-14-9-7-12-5-3-2-4-6-12/h2-6,8,10,14H,7,9,11H2,1H3 | | Definition date: | 2015-02-17 | | Last modified: | 2015-05-01 | | Release date: | 2015-05-06 | | Identifier: | N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine |
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 | | RC5 | | Name: | [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid | | Formula: | C14 H22 N O5 P | | SMILES: | O=P(O)(O)CC(CCCc1ccccc1)CC(=O)N(O)C | | InChi: | InChI=1S/C14H22NO5P/c1-15(17)14(16)10-13(11-21(18,19)20)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13,17H,5,8-11H2,1H3,(H2,18,19,20)/t13-/m1/s1 | | Definition date: | 2015-02-12 | | Last modified: | 2015-03-27 | | Release date: | 2015-04-01 | | Identifier: | [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid |
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 | | ZT2 | | Name: | 5-[(E)-(2-OXO-2,3-DIHYDRO-1H-INDEN-1-YLIDENE)METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID | | Formula: | C18 H12 O5 | | SMILES: | O=C2C(c1ccccc1C2)=Cc3ccc4OCOc4c3C(=O)O | | InChi: | InChI=1S/C18H12O5/c19-14-8-10-3-1-2-4-12(10)13(14)7-11-5-6-15-17(23-9-22-15)16(11)18(20)21/h1-7H,8-9H2,(H,20,21)/b13-7+ | | Definition date: | 2011-07-01 | | Last modified: | 2014-09-05 | | Identifier: | 5-[(E)-(2-oxo-2,3-dihydro-1H-inden-1-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid |
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 | | H34 | | Name: | (1-{4-[(7S,11S)-12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL | | Formula: | C23 H26 Cl N5 O | | SMILES: | Clc2ccc1c(N)c4c(nc1c2)CC5C=C(CCCCn3nnc(c3)CO)CC4C5 | | InChi: | InChI=1S/C23H26ClN5O/c24-17-4-5-19-20(11-17)26-21-10-15-7-14(8-16(9-15)22(21)23(19)25)3-1-2-6-29-12-18(13-30)27-28-29/h4-5,7,11-12,15-16,30H,1-3,6,8-10,13H2,(H2,25,26)/t15-,16+/m0/s1 | | Definition date: | 2011-09-14 | | Last modified: | 2014-09-05 | | Identifier: | (1-{4-[(7S,11S)-12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl]butyl}-1H-1,2,3-triazol-4-yl)methanol |
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 | | ON0 | | Name: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4,6-O-benzylidene-2-deoxy-alpha-D-glucopyranoside | | Formula: | C30 H49 N5 O14 | | SMILES: | O4C(OC3C(N)CC(N)C(O)C3OC2OC(CO)C(OC1OC(CN)C(O)C(O)C1N)C2O)C(N)C(O)C5OC(OCC45)c6ccccc6 | | InChi: | InChI=1S/C30H49N5O14/c31-7-13-19(38)20(39)16(34)28(43-13)48-24-14(8-36)44-30(22(24)41)49-26-18(37)11(32)6-12(33)23(26)46-29-17(35)21(40)25-15(45-29)9-42-27(47-25)10-4-2-1-3-5-10/h1-5,11-30,36-41H,6-9,31-35H2/t11-,12+,13+,14-,15-,16-,17-,18+,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30+/m1/s1 | | Definition date: | 2012-07-26 | | Last modified: | 2013-08-02 | | Release date: | 2013-08-07 | | Identifier: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-4,6-O-(phenylmethylidene)-alpha-D-glucopyranoside |
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 | | 0WH | | Name: | 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone | | Formula: | C24 H20 F3 N5 O | | SMILES: | FC(F)(F)c1cccc(c1)CC(=O)N3c2ccc(cc2CC3)c5c4c(ncnc4n(c5)C)N | | InChi: | InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30) | | Definition date: | 2012-07-24 | | Last modified: | 2012-08-03 | | Identifier: | 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone |
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