General Information of the Compound
| Compound ID |
CP0946628
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| Compound Name |
5-(2-Fluoro-4-methoxy-benzyl)-2-pyridin-2-yl-pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C17H16FN5O
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| Molecular Weight |
325.347
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| Canonical SMILES |
COc1ccc(Cc2c(N)nc(-c3ccccn3)nc2N)c(F)c1
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| InChI |
InChI=1S/C17H16FN5O/c1-24-11-6-5-10(13(18)9-11)8-12-15(19)22-17(23-16(12)20)14-4-2-3-7-21-14/h2-7,9H,8H2,1H3,(H4,19,20,22,23)
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| InChIKey |
KXGAKOHPEZTSFF-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