General Information of the Compound
| Compound ID |
CP0443039
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| Compound Name |
ethyl 4,6-bis(4-chlorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
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| Structure |
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| Formula |
C21H19Cl2NO2
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| Molecular Weight |
388.294
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| Canonical SMILES |
CCOC(=O)C1=C(C)NC(=CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H19Cl2NO2/c1-3-26-21(25)20-13(2)24-19(15-6-10-17(23)11-7-15)12-18(20)14-4-8-16(22)9-5-14/h4-12,18,24H,3H2,1-2H3
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| InChIKey |
ZJGPVZDOIBRGFP-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