General Information of the Compound
| Compound ID |
CP0885862
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| Compound Name |
2-Ethyl-4-methyl-6-phenyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester
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| Formula |
C20H25NO4
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| Molecular Weight |
343.423
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| Canonical SMILES |
CCOC(=O)C1=C(c2ccccc2)N=C(CC)/C(=C(/O)OCC)C1C
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| InChI |
InChI=1S/C20H25NO4/c1-5-15-16(19(22)24-6-2)13(4)17(20(23)25-7-3)18(21-15)14-11-9-8-10-12-14/h8-13,22H,5-7H2,1-4H3/b19-16-
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| InChIKey |
QRTJANVHDPJJEX-MNDPQUGUSA-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