General Information of the Compound
| Compound ID |
CP0433090
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| Compound Name |
ethyl 6-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]piperidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate
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| Structure |
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| Formula |
C20H21ClN4O5S2
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| Molecular Weight |
496.998
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| Canonical SMILES |
CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)s1
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| InChI |
InChI=1S/C20H21ClN4O5S2/c1-3-30-20(27)15-10-14(11-22)18(23-12(15)2)25-8-6-13(7-9-25)19(26)24-32(28,29)17-5-4-16(21)31-17/h4-5,10,13H,3,6-9H2,1-2H3,(H,24,26)
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| InChIKey |
YVEPQWPFZNTAAE-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