General Information of the Compound
| Compound ID |
CP0724391
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| Compound Name |
2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-(2-phenylsulfanyl-ethyl) ester
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| Formula |
C20H25NO4S
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| Molecular Weight |
375.49
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| Canonical SMILES |
CCO/C(O)=C1/C(C)=NC(C)=C(C(=O)OCCSc2ccccc2)C1C
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| InChI |
InChI=1S/C20H25NO4S/c1-5-24-19(22)17-13(2)18(15(4)21-14(17)3)20(23)25-11-12-26-16-9-7-6-8-10-16/h6-10,13,22H,5,11-12H2,1-4H3/b19-17+
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| InChIKey |
CUHAMGYOMBKPLA-HTXNQAPBSA-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