General Information of the Compound
| Compound ID |
CP0904683
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| Compound Name |
Methyl (4R)-(2-Chloro-4-fluorophenyl)-2-(chloromethyl)-5-cyano-6-methyl-1,4-dihydropyridine-3-carboxylate
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| Structure |
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| Formula |
C16H13Cl2FN2O2
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| Molecular Weight |
355.196
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| Canonical SMILES |
COC(=O)C1=C(CCl)NC(C)=C(C#N)[C@H]1c1ccc(F)cc1Cl
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| InChI |
InChI=1S/C16H13Cl2FN2O2/c1-8-11(7-20)14(10-4-3-9(19)5-12(10)18)15(16(22)23-2)13(6-17)21-8/h3-5,14,21H,6H2,1-2H3/t14-/m1/s1
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| InChIKey |
HXMHWKPUYLJIJN-CQSZACIVSA-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