General Information of the Compound
| Compound ID |
CP0379966
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| Compound Name |
2-[2-(5-cyano-3-hydroxy-4-methylpyridin-2-yl)-1,3-thiazol-4-yl]-N-(2-pyridin-2-ylethyl)acetamide
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| Structure |
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| Formula |
C19H17N5O2S
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| Molecular Weight |
379.445
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| Canonical SMILES |
Cc1c(O)c(ncc1C#N)-c1nc(CC(=O)NCCc2ccccn2)cs1
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| InChI |
InChI=1S/C19H17N5O2S/c1-12-13(9-20)10-23-17(18(12)26)19-24-15(11-27-19)8-16(25)22-7-5-14-4-2-3-6-21-14/h2-4,6,10-11,26H,5,7-8H2,1H3,(H,22,25)
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| InChIKey |
MNKLNTMHRWFUOY-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