General Information of the Compound
| Compound ID |
CP0431369
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| Compound Name |
N-[6-(3-cyanophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
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| Structure |
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| Formula |
C18H16N6O
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| Molecular Weight |
332.367
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| Canonical SMILES |
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C18H16N6O/c1-11-7-12(2)24(23-11)18-21-16(9-17(22-18)20-13(3)25)15-6-4-5-14(8-15)10-19/h4-9H,1-3H3,(H,20,21,22,25)
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| InChIKey |
RLYMKXCOCBLPDC-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