General Information of the Compound
| Compound ID |
CP0415951
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| Compound Name |
ethyl 2-ethyl-4,6-diphenyl-1,4-dihydropyridine-3-carboxylate
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| Structure |
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| Formula |
C22H23NO2
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| Molecular Weight |
333.431
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| Canonical SMILES |
CCOC(=O)C1=C(CC)NC(=CC1c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C22H23NO2/c1-3-19-21(22(24)25-4-2)18(16-11-7-5-8-12-16)15-20(23-19)17-13-9-6-10-14-17/h5-15,18,23H,3-4H2,1-2H3
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| InChIKey |
DSRLLQOHJOEKEZ-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