General Information of the Compound
| Compound ID |
CP0284369
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| Compound Name |
8-[(2-chlorophenyl)methylsulfanyl]-6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile
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| Structure |
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| Formula |
C16H13ClN2O2S
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| Molecular Weight |
332.812
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| Canonical SMILES |
Clc1ccccc1CSc1[nH]c(=O)c(C#N)c2CCOCc12
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| InChI |
InChI=1S/C16H13ClN2O2S/c17-14-4-2-1-3-10(14)9-22-16-13-8-21-6-5-11(13)12(7-18)15(20)19-16/h1-4H,5-6,8-9H2,(H,19,20)
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| InChIKey |
CVNXVCQYNMDAAW-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