General Information of the Compound
| Compound ID |
CP0902451
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| Compound Name |
Methyl 4-(2-Chlorophenyl)-5-cyano-2-ethyl-1,4-dihydro-6-methylpyridine-3-carboxylate
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| Structure |
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| Formula |
C17H17ClN2O2
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| Molecular Weight |
316.788
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| Canonical SMILES |
CCC1=C(C(=O)OC)C(c2ccccc2Cl)C(C#N)=C(C)N1
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| InChI |
InChI=1S/C17H17ClN2O2/c1-4-14-16(17(21)22-3)15(12(9-19)10(2)20-14)11-7-5-6-8-13(11)18/h5-8,15,20H,4H2,1-3H3
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| InChIKey |
WGYWGUJYBDLPRA-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