General Information of the Compound
| Compound ID |
CP0443038
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| Compound Name |
ethyl 6-(4-chlorophenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
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| Structure |
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| Formula |
C21H20ClNO2
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| Molecular Weight |
353.849
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| Canonical SMILES |
CCOC(=O)C1=C(C)NC(=CC1c1ccccc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H20ClNO2/c1-3-25-21(24)20-14(2)23-19(16-9-11-17(22)12-10-16)13-18(20)15-7-5-4-6-8-15/h4-13,18,23H,3H2,1-2H3
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| InChIKey |
BWRLTXMPYHAFDY-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