General Information of the Compound
| Compound ID |
CP0443041
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| Compound Name |
ethyl 6-(4-chlorophenyl)-2-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
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| Structure |
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| Formula |
C21H19ClN2O4
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| Molecular Weight |
398.846
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| Canonical SMILES |
CCOC(=O)C1=C(C)NC(=CC1c1ccccc1[N+]([O-])=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H19ClN2O4/c1-3-28-21(25)20-13(2)23-18(14-8-10-15(22)11-9-14)12-17(20)16-6-4-5-7-19(16)24(26)27/h4-12,17,23H,3H2,1-2H3
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| InChIKey |
GGALZRHFGYBGFJ-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