General Information of the Compound
| Compound ID |
CP0559404
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| Compound Name |
methyl 2,6-dimethyl-5-[(2-methylphenyl)carbamoyl]-4-(2-methylpropyl)-1,4-dihydropyridine-3-carboxylate
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| Structure |
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| Formula |
C21H28N2O3
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| Molecular Weight |
356.466
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| Canonical SMILES |
COC(=O)C1=C(C)NC(C)=C(C1CC(C)C)C(=O)Nc1ccccc1C
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| InChI |
InChI=1S/C21H28N2O3/c1-12(2)11-16-18(14(4)22-15(5)19(16)21(25)26-6)20(24)23-17-10-8-7-9-13(17)3/h7-10,12,16,22H,11H2,1-6H3,(H,23,24)
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| InChIKey |
WTFDRRPGQNVNFT-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