General Information of the Compound
| Compound ID |
CP0396671
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| Compound Name |
5-O-[[1-[2-[2-[2-[2-[2-[2-[4-[[5-ethoxycarbonyl-2,6-dimethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,4-dihydropyridine-3-carbonyl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl] 3-O-ethyl 2,6-dimethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
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| Structure |
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| Formula |
C60H72N10O15
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| Molecular Weight |
1173.291
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| Canonical SMILES |
CCOC(=O)C1=C(C)NC(C)=C(C1c1c(C)onc1-c1ccccc1)C(=O)OCc1cn(CCOCCOCCOCCOCCOCCn2cc(COC(=O)C3=C(C)NC(C)=C(C3c3c(C)onc3-c3ccccc3)C(=O)OCC)nn2)nn1
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| InChI |
InChI=1S/C60H72N10O15/c1-9-80-57(71)47-37(3)61-39(5)49(53(47)51-41(7)84-65-55(51)43-17-13-11-14-18-43)59(73)82-35-45-33-69(67-63-45)21-23-75-25-27-77-29-31-79-32-30-78-28-26-76-24-22-70-34-46(64-68-70)36-83-60(74)50-40(6)62-38(4)48(58(72)81-10-2)54(50)52-42(8)85-66-56(52)44-19-15-12-16-20-44/h11-20,33-34,53-54,61-62H,9-10,21-32,35-36H2,1-8H3
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| InChIKey |
BWOFJGLIPMRXRZ-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