General Information of the Compound
| Compound ID |
CP0943902
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| Compound Name |
Ethyl 4-(2-Chlorophenyl)-6-(4-chlorophenyl)-5-cyano-2-ethyl-1,4-dihydropyridine-3-carboxylate
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| Structure |
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| Formula |
C22H18Cl2N2O2
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| Molecular Weight |
413.304
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| Canonical SMILES |
CCOC(=O)C1=C(c2ccc(Cl)cc2)NC(C)=C(C#N)C1c1ccccc1Cl
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| InChI |
InChI=1S/C22H18Cl2N2O2/c1-3-28-22(27)20-19(16-6-4-5-7-18(16)24)17(12-25)13(2)26-21(20)14-8-10-15(23)11-9-14/h4-11,19,26H,3H2,1-2H3
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| InChIKey |
QIBPOJRXAVDMKA-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