General Information of the Compound
| Compound ID |
CP0448241
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| Compound Name |
3-O-benzyl 5-O-ethyl 2-cyclohexyl-6-methyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate
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| Structure |
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| Formula |
C31H33NO4
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| Molecular Weight |
483.608
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| Canonical SMILES |
CCOC(=O)C1=C(C)NC(C2CCCCC2)=C(C1C#Cc1ccccc1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C31H33NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-5,7-10,13-16,25-26,32H,3,6,11-12,17-18,21H2,1-2H3
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| InChIKey |
KVZSUMCDFGRSBQ-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