General Information of the Compound
| Compound ID |
CP0541413
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| Compound Name |
5-O-[[1-[2-[2-[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]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 |
C60H70Br2N10O15
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| Molecular Weight |
1331.083
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| Canonical SMILES |
CCOC(=O)C1=C(C)NC(C)=C(C1c1c(C)onc1-c1ccc(Br)cc1)C(=O)OCc1cn(CCOCCOCCOCCOCCOCCn2cc(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/C60H70Br2N10O15/c1-9-82-57(73)47-35(3)63-37(5)49(53(47)51-39(7)86-67-55(51)41-11-15-43(61)16-12-41)59(75)84-33-45-31-71(69-65-45)19-21-77-23-25-79-27-29-81-30-28-80-26-24-78-22-20-72-32-46(66-70-72)34-85-60(76)50-38(6)64-36(4)48(58(74)83-10-2)54(50)52-40(8)87-68-56(52)42-13-17-44(62)18-14-42/h11-18,31-32,53-54,63-64H,9-10,19-30,33-34H2,1-8H3
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| InChIKey |
XZJALWZAKPYVSJ-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