General Information of the Compound
| Compound ID |
CP0946276
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| Compound Name |
N-Benzyl-5-methoxy-2-(pyridin-2-yl)pyrimidin-4-amine
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| Structure |
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| Formula |
C17H16N4O
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| Molecular Weight |
292.342
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| Canonical SMILES |
COc1cnc(-c2ccccn2)nc1NCc1ccccc1
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| InChI |
InChI=1S/C17H16N4O/c1-22-15-12-20-16(14-9-5-6-10-18-14)21-17(15)19-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,20,21)
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| InChIKey |
ODCDWGADKFHUDV-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