General Information of the Compound
| Compound ID |
CP0844944
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| Compound Name |
Methyl 4-(2-Chlorophenyl)-5-cyano-1,4-dihydro-2-(2-methoxymethyl)-6-methylpyridine-3-carboxylate
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| Structure |
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| Formula |
C17H17ClN2O3
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| Molecular Weight |
332.787
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| Canonical SMILES |
COCC1=C(C(=O)OC)C(c2ccccc2Cl)C(C#N)=C(C)N1
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| InChI |
InChI=1S/C17H17ClN2O3/c1-10-12(8-19)15(11-6-4-5-7-13(11)18)16(17(21)23-3)14(20-10)9-22-2/h4-7,15,20H,9H2,1-3H3
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| InChIKey |
OLEMIRNFAJNPKY-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