General Information of the Compound
| Compound ID |
CP0199155
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| Compound Name |
2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol
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| Structure |
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| Formula |
C18H15F2N3O
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| Molecular Weight |
327.334
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| Canonical SMILES |
CNc1ncc(-c2cc(F)c(O)c(F)c2)c(n1)-c1ccc(C)cc1
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| InChI |
InChI=1S/C18H15F2N3O/c1-10-3-5-11(6-4-10)16-13(9-22-18(21-2)23-16)12-7-14(19)17(24)15(20)8-12/h3-9,24H,1-2H3,(H,21,22,23)
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| InChIKey |
SZXVKXAUZJIMFQ-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