General Information of the Compound
| Compound ID |
CP0499868
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| Compound Name |
2-chloro-N-[6-(5-ethyl-4-methyl-6-prop-2-enoxypyrimidin-2-yl)pyridin-3-yl]acetamide
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| Structure |
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| Formula |
C17H19ClN4O2
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| Molecular Weight |
346.818
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| Canonical SMILES |
CCc1c(C)nc(nc1OCC=C)-c1ccc(NC(=O)CCl)cn1
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| InChI |
InChI=1S/C17H19ClN4O2/c1-4-8-24-17-13(5-2)11(3)20-16(22-17)14-7-6-12(10-19-14)21-15(23)9-18/h4,6-7,10H,1,5,8-9H2,2-3H3,(H,21,23)
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| InChIKey |
SDXKNGKMFQTFNM-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