General Information of the Compound
| Compound ID |
CP0201127
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| Compound Name |
5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate
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| Structure |
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| Formula |
C20H21NO4
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| Molecular Weight |
339.391
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| Canonical SMILES |
CCOC(=O)C1=C(C)NC(C)=C(C1C#Cc1ccccc1)C(=O)OC
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| InChI |
InChI=1S/C20H21NO4/c1-5-25-20(23)18-14(3)21-13(2)17(19(22)24-4)16(18)12-11-15-9-7-6-8-10-15/h6-10,16,21H,5H2,1-4H3
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| InChIKey |
BFWIGOWQBVQBSF-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