General Information of the Compound
| Compound ID |
CP0859941
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| Compound Name |
3-thioethyl-5-ethyl-2-methyl-4-ethyl-6-(4-fluorophenyl)-1,4-(+)-dihydropyridine-3,5-dicarboxylate
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| Structure |
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| Formula |
C20H24FNO3S
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| Molecular Weight |
377.481
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| Canonical SMILES |
CCOC(=O)C1=C(c2ccc(F)cc2)NC(C)=C(C(=O)SCC)C1CC
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| InChI |
InChI=1S/C20H24FNO3S/c1-5-15-16(20(24)26-7-3)12(4)22-18(17(15)19(23)25-6-2)13-8-10-14(21)11-9-13/h8-11,15,22H,5-7H2,1-4H3
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| InChIKey |
XJOVYQMBZRDWAX-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