General Information of the Compound
| Compound ID |
CP0178739
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| Compound Name |
2,6-difluoro-4-[4-(4-methylphenyl)-2-(propan-2-ylamino)pyrimidin-5-yl]phenol
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| Structure |
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| Formula |
C20H19F2N3O
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| Molecular Weight |
355.388
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| Canonical SMILES |
CC(C)Nc1ncc(-c2cc(F)c(O)c(F)c2)c(n1)-c1ccc(C)cc1
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| InChI |
InChI=1S/C20H19F2N3O/c1-11(2)24-20-23-10-15(14-8-16(21)19(26)17(22)9-14)18(25-20)13-6-4-12(3)5-7-13/h4-11,26H,1-3H3,(H,23,24,25)
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| InChIKey |
OEOITLSQKKJYKY-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