 | | A4I | | Name: | (1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30S,34aS)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate | | Formula: | C56 H87 N O16 | | SMILES: | CC(CO)(CO)C(=O)OC1CCC(CC1OC)CC(C)C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CC(OC)C(C)=CC=CC=CC(C)CC(C)C(=O)C(OC)C(O)C(C)=CC(C)C(=O)C1)CCC2C | | InChi: | InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1 | | Synonyms: | Temsirolimus | | Definition date: | 2021-11-05 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | (1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30S,34aS)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate |
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 | | 98R | | Name: | [(2S)-2-[(E)-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate | | Formula: | C39 H72 O5 | | SMILES: | CCCCCCCC=CCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCC=CCCCCCCC | | InChi: | InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15-18,37,40H,3-14,19-36H2,1-2H3/b17-15?,18-16+/t37-/m0/s1 | | Definition date: | 2022-01-11 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | [(2~{S})-2-[(~{E})-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate |
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 | | 9IM | | Name: | 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide | | Formula: | C25 H19 Cl F4 N2 O2 | | SMILES: | Fc1cc(F)cc(F)c1CNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)C2(C)C | | InChi: | InChI=1S/C25H19ClF4N2O2/c1-25(2)17-7-6-13(23(33)31-11-15-20(29)9-14(27)10-21(15)30)8-22(17)32(24(25)34)12-16-18(26)4-3-5-19(16)28/h3-10H,11-12H2,1-2H3,(H,31,33) | | Definition date: | 2021-10-18 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide |
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 | | 0UD | | Name: | N-[2,6-di(propan-2-yl)phenyl]-N'-(N-ethylcarbamimidoyl)urea | | Formula: | C16 H26 N4 O | | SMILES: | O=C(Nc1c(cccc1C(C)C)C(C)C)NC(=N)NCC | | InChi: | InChI=1S/C16H26N4O/c1-6-18-15(17)20-16(21)19-14-12(10(2)3)8-7-9-13(14)11(4)5/h7-11H,6H2,1-5H3,(H4,17,18,19,20,21) | | Definition date: | 2021-06-15 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | N-[2,6-di(propan-2-yl)phenyl]-N'-(N-ethylcarbamimidoyl)urea |
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 | | 10I | | Name: | N-(2,6-diethylphenyl)-N'-(N-propylcarbamimidoyl)urea | | Formula: | C15 H24 N4 O | | SMILES: | O=C(Nc1c(cccc1CC)CC)NC(=N)NCCC | | InChi: | InChI=1S/C15H24N4O/c1-4-10-17-14(16)19-15(20)18-13-11(5-2)8-7-9-12(13)6-3/h7-9H,4-6,10H2,1-3H3,(H4,16,17,18,19,20) | | Definition date: | 2021-06-21 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | N-(2,6-diethylphenyl)-N'-(N-propylcarbamimidoyl)urea |
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 | | 17I | | Name: | N-(2,6-diethylphenyl)-N'-(N-methylcarbamimidoyl)urea | | Formula: | C13 H20 N4 O | | SMILES: | O=C(Nc1c(cccc1CC)CC)NC(=N)NC | | InChi: | InChI=1S/C13H20N4O/c1-4-9-7-6-8-10(5-2)11(9)16-13(18)17-12(14)15-3/h6-8H,4-5H2,1-3H3,(H4,14,15,16,17,18) | | Definition date: | 2021-06-21 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | N-(2,6-diethylphenyl)-N'-(N-methylcarbamimidoyl)urea |
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 | | H5C | | Name: | 9-[(2R,3R,4R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3H-purine-2,6-dione | | Formula: | C11 H14 N4 O6 | | SMILES: | CO[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3C(=O)NC(=O)Nc23 | | InChi: | InChI=1S/C11H14N4O6/c1-20-7-6(17)4(2-16)21-10(7)15-3-12-5-8(15)13-11(19)14-9(5)18/h3-4,6-7,10,16-17H,2H2,1H3,(H2,13,14,18,19)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 2020-11-12 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | 9-[(2~{R},3~{R},4~{R})-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3~{H}-purine-2,6-dione |
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 | | H5F | | Name: | 6-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-purin-2-one | | Formula: | C10 H13 N5 O5 | | SMILES: | NC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC(=O)N1 | | InChi: | InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1 | | Definition date: | 2020-11-12 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | 6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-purin-2-one |
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 | | HOR | | Name: | 4-[[(1R,2R)-2-[(3R)-3-azanylpiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile | | Formula: | C21 H22 Cl N3 O | | SMILES: | N[CH]1CCCN(C1)[CH]2Cc3ccccc3[CH]2Oc4ccc(cc4Cl)C#N | | InChi: | InChI=1S/C21H22ClN3O/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2/t16-,19-,21-/m1/s1 | | Synonyms: | SAR7334 | | Definition date: | 2021-01-25 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | 4-[[(1~{R},2~{R})-2-[(3~{R})-3-azanylpiperidin-1-yl]-2,3-dihydro-1~{H}-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile |
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 | | HR3 | | Name: | 5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid | | Formula: | C15 H14 N2 O5 | | SMILES: | COc1ccc(CNc2cnc(cc2C(O)=O)C(O)=O)cc1 | | InChi: | InChI=1S/C15H14N2O5/c1-22-10-4-2-9(3-5-10)7-16-13-8-17-12(15(20)21)6-11(13)14(18)19/h2-6,8,16H,7H2,1H3,(H,18,19)(H,20,21) | | Definition date: | 2021-01-29 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | 5-[(4-methoxyphenyl)methylamino]pyridine-2,4-dicarboxylic acid |
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 | | HR9 | | Name: | 5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid | | Formula: | C17 H18 N2 O4 | | SMILES: | OC(=O)c1cc(C(O)=O)c(NCCCCc2ccccc2)cn1 | | InChi: | InChI=1S/C17H18N2O4/c20-16(21)13-10-14(17(22)23)19-11-15(13)18-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,10-11,18H,4-5,8-9H2,(H,20,21)(H,22,23) | | Definition date: | 2021-01-29 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | 5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid |
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 | | HRF | | Name: | 5-(benzylamino)pyridine-2,4-dicarboxylic acid | | Formula: | C14 H12 N2 O4 | | SMILES: | OC(=O)c1cc(C(O)=O)c(NCc2ccccc2)cn1 | | InChi: | InChI=1S/C14H12N2O4/c17-13(18)10-6-11(14(19)20)16-8-12(10)15-7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H,17,18)(H,19,20) | | Definition date: | 2021-01-29 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | 5-[(phenylmethyl)amino]pyridine-2,4-dicarboxylic acid |
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 | | HRL | | Name: | 5-((2-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid | | Formula: | C15 H14 N2 O5 | | SMILES: | COc1ccccc1CNc2cnc(cc2C(O)=O)C(O)=O | | InChi: | InChI=1S/C15H14N2O5/c1-22-13-5-3-2-4-9(13)7-16-12-8-17-11(15(20)21)6-10(12)14(18)19/h2-6,8,16H,7H2,1H3,(H,18,19)(H,20,21) | | Definition date: | 2021-01-29 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | 5-[(2-methoxyphenyl)methylamino]pyridine-2,4-dicarboxylic acid |
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 | | HRR | | Name: | 5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid | | Formula: | C17 H16 N2 O4 | | SMILES: | OC(=O)c1cc(C(O)=O)c(NCc2ccccc2C3CC3)cn1 | | InChi: | InChI=1S/C17H16N2O4/c20-16(21)13-7-14(17(22)23)19-9-15(13)18-8-11-3-1-2-4-12(11)10-5-6-10/h1-4,7,9-10,18H,5-6,8H2,(H,20,21)(H,22,23) | | Definition date: | 2021-01-29 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | 5-[(2-cyclopropylphenyl)methylamino]pyridine-2,4-dicarboxylic acid |
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 | | NDW | | Name: | alpha-NADPH | | Formula: | C21 H30 N7 O17 P3 | | SMILES: | NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1 | | Synonyms: | [[(2~{R},3~{S},4~{R},5~{S})-5-(3-aminocarbonyl-4~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate | | Definition date: | 2022-01-25 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{S})-5-(3-aminocarbonyl-4~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate |
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 | | 6WI | | Name: | 3-(guanosine-5'-diphospho)-D-glycerate | | Formula: | C13 H19 N5 O14 P2 | | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH](O)C(O)=O)[CH](O)[CH]3O | | InChi: | InChI=1S/C13H19N5O14P2/c14-13-16-9-6(10(22)17-13)15-3-18(9)11-8(21)7(20)5(31-11)2-30-34(27,28)32-33(25,26)29-1-4(19)12(23)24/h3-5,7-8,11,19-21H,1-2H2,(H,23,24)(H,25,26)(H,27,28)(H3,14,16,17,22)/t4-,5-,7-,8-,11-/m1/s1 | | Synonyms: | 3GPPG | | Definition date: | 2021-08-04 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | (2~{R})-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-oxidanyl-propanoic acid |
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 | | 7IE | | Name: | Flupyradifurone | | Formula: | C12 H11 Cl F2 N2 O2 | | SMILES: | FC(F)CN(Cc1ccc(Cl)nc1)C2=CC(=O)OC2 | | InChi: | InChI=1S/C12H11ClF2N2O2/c13-10-2-1-8(4-16-10)5-17(6-11(14)15)9-3-12(18)19-7-9/h1-4,11H,5-7H2 | | Synonyms: | 3-[2,2-bis(fluoranyl)ethyl-[(6-chloranylpyridin-3-yl)methyl]amino]-2~{H}-furan-5-one | | Definition date: | 2021-08-05 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | 3-[2,2-bis(fluoranyl)ethyl-[(6-chloranylpyridin-3-yl)methyl]amino]-2~{H}-furan-5-one |
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 | | 7II | | Name: | Sulfoxaflor | | Formula: | C10 H10 F3 N3 O S | | SMILES: | C[CH](c1ccc(nc1)C(F)(F)F)[S](C)(=O)=NC#N | | InChi: | InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3/t7-,18+/m0/s1 | | Synonyms: | [methyl-oxidanylidene-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-$l^{6}-sulfanylidene]cyanamide | | Definition date: | 2021-08-05 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | [methyl-oxidanylidene-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-$l^{6}-sulfanylidene]cyanamide |
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 | | 7JI | | Name: | 3-[3,5-bis(chloranyl)phenyl]-1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-9-methyl-pyrido[1,2-a]pyrimidine-2,4-dione | | Formula: | C19 H12 Cl3 N3 O2 S | | SMILES: | CC1=CC=CN2C(=O)C(=C([O-])[N+](=C12)Cc3sc(Cl)nc3)c4cc(Cl)cc(Cl)c4 | | InChi: | InChI=1S/C19H12Cl3N3O2S/c1-10-3-2-4-24-16(10)25(9-14-8-23-19(22)28-14)18(27)15(17(24)26)11-5-12(20)7-13(21)6-11/h2-8H,9H2,1H3 | | Definition date: | 2021-08-09 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | 3-[3,5-bis(chloranyl)phenyl]-1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-1-ium-2-olate |
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 | | 08G | | Name: | 1-[4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-1-phenylethyl]urea | | Formula: | C16 H17 N5 O2 | | SMILES: | C[CH](NC(=O)Nc1cc2[nH]ncc2c(CO)n1)c3ccccc3 | | InChi: | InChI=1S/C16H17N5O2/c1-10(11-5-3-2-4-6-11)18-16(23)20-15-7-13-12(8-17-21-13)14(9-22)19-15/h2-8,10,22H,9H2,1H3,(H,17,21)(H2,18,19,20,23)/t10-/m0/s1 | | Definition date: | 2021-06-01 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | 1-[4-(hydroxymethyl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1~{S})-1-phenylethyl]urea |
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 | | 7OB | | Name: | 4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate | | Formula: | C20 H13 F3 N4 O2 | | SMILES: | [O-]C1=C(C(=O)N2C=CC=CC2=[N+]1Cc3cncnc3)c4cccc(c4)C(F)(F)F | | InChi: | InChI=1S/C20H13F3N4O2/c21-20(22,23)15-5-3-4-14(8-15)17-18(28)26-7-2-1-6-16(26)27(19(17)29)11-13-9-24-12-25-10-13/h1-10,12H,11H2 | | Synonyms: | Triflumezopyrim | | Definition date: | 2021-08-10 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | 4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate |
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 | | 80P | | Name: | (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide | | Formula: | C28 H32 F3 N3 O7 | | SMILES: | NC(=O)C=1C(=O)C2(O)C(O)=C3C(=O)c4c(CC3CC2C(N(CC)CC)C=1O)c(c(cc4O)C1CCCN1)C(F)(F)F | | InChi: | InChI=1S/C28H32F3N3O7/c1-3-34(4-2)21-14-9-11-8-13-18(16(35)10-12(15-6-5-7-33-15)20(13)28(29,30)31)22(36)17(11)24(38)27(14,41)25(39)19(23(21)37)26(32)40/h10-11,14-15,21,33,35,37-38,41H,3-9H2,1-2H3,(H2,32,40)/t11-,14-,15-,21-,27-/m0/s1 | | Synonyms: | TP-6076 | | Definition date: | 2021-08-25 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
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 | | 81K | | Name: | (Z)-hexadec-9-enal | | Formula: | C16 H30 O | | SMILES: | CCCCCCC=CCCCCCCCC=O | | InChi: | InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,16H,2-6,9-15H2,1H3/b8-7- | | Definition date: | 2021-11-11 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | (~{Z})-hexadec-9-enal |
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 | | 85B | | Name: | 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid | | Formula: | C22 H22 F3 N3 O5 | | SMILES: | Cc1cc(CN2N=CN(C2=O)c3ccc(OC(F)(F)F)cc3)cc(C)c1OC(C)(C)C(O)=O | | InChi: | InChI=1S/C22H22F3N3O5/c1-13-9-15(10-14(2)18(13)33-21(3,4)19(29)30)11-28-20(31)27(12-26-28)16-5-7-17(8-6-16)32-22(23,24)25/h5-10,12H,11H2,1-4H3,(H,29,30) | | Definition date: | 2021-11-25 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid |
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 | | 8HL | | Name: | 2-heptyl-4,6-bis(oxidanyl)benzoic acid | | Formula: | C14 H20 O4 | | SMILES: | CCCCCCCc1cc(O)cc(O)c1C(O)=O | | InChi: | InChI=1S/C14H20O4/c1-2-3-4-5-6-7-10-8-11(15)9-12(16)13(10)14(17)18/h8-9,15-16H,2-7H2,1H3,(H,17,18) | | Definition date: | 2021-12-14 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | 2-heptyl-4,6-bis(oxidanyl)benzoic acid |
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