General Information of the Compound
| Compound ID |
CP0786271
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| Compound Name |
4-Ethyl-5-(2-methoxy-ethylsulfanylcarbonyl)-6-methyl-2-phenyl-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester
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| Formula |
C21H27NO4S
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| Molecular Weight |
389.517
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| Canonical SMILES |
CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)SCCOC)C1CC
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| InChI |
InChI=1S/C21H27NO4S/c1-5-16-17(21(24)27-13-12-25-4)14(3)22-19(15-10-8-7-9-11-15)18(16)20(23)26-6-2/h7-11,16,24H,5-6,12-13H2,1-4H3/b21-17+
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| InChIKey |
UPBZNJWOOZUKLW-HEHNFIMWSA-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