General Information of the Compound
| Compound ID |
CP0858703
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| Compound Name |
Methyl 4-(2-Chlorophenyl)-5-cyano-1,4-dihydro-2,6-dimethylpyridine-3-carboxylate
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| Structure |
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| Formula |
C16H15ClN2O2
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| Molecular Weight |
302.761
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| Canonical SMILES |
COC(=O)C1=C(C)NC(C)=C(C#N)C1c1ccccc1Cl
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| InChI |
InChI=1S/C16H15ClN2O2/c1-9-12(8-18)15(11-6-4-5-7-13(11)17)14(10(2)19-9)16(20)21-3/h4-7,15,19H,1-3H3
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| InChIKey |
SHQNSZSAVUDQKH-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