General Information of the Compound
| Compound ID |
CP0393448
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| Compound Name |
5-O-[[1-[2-[2-[2-[2-[4-[[4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]-5-ethoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl] 3-O-ethyl 4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
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| Structure |
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| Formula |
C56H62Br2N10O13
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| Molecular Weight |
1242.977
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| Canonical SMILES |
CCOC(=O)C1=C(C)NC(C)=C(C1c1c(C)onc1-c1ccc(Br)cc1)C(=O)OCc1cn(CCOCCOCCOCCn2cc(COC(=O)C3=C(C)NC(C)=C(C3c3c(C)onc3-c3ccc(Br)cc3)C(=O)OCC)nn2)nn1
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| InChI |
InChI=1S/C56H62Br2N10O13/c1-9-76-53(69)43-31(3)59-33(5)45(49(43)47-35(7)80-63-51(47)37-11-15-39(57)16-12-37)55(71)78-29-41-27-67(65-61-41)19-21-73-23-25-75-26-24-74-22-20-68-28-42(62-66-68)30-79-56(72)46-34(6)60-32(4)44(54(70)77-10-2)50(46)48-36(8)81-64-52(48)38-13-17-40(58)18-14-38/h11-18,27-28,49-50,59-60H,9-10,19-26,29-30H2,1-8H3
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| InChIKey |
HKKFCFIFPDLOKD-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound