General Information of the Compound
| Compound ID |
CP0574333
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| Compound Name |
4-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-2,6-difluorophenol
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| Structure |
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| Formula |
C17H13F2N3O
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| Molecular Weight |
313.307
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| Canonical SMILES |
Cc1ccc(cc1)-c1nc(N)ncc1-c1cc(F)c(O)c(F)c1
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| InChI |
InChI=1S/C17H13F2N3O/c1-9-2-4-10(5-3-9)15-12(8-21-17(20)22-15)11-6-13(18)16(23)14(19)7-11/h2-8,23H,1H3,(H2,20,21,22)
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| InChIKey |
HPQKQSNTXXYIDR-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