General Information of the Compound
| Compound ID |
CP0466212
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| Compound Name |
N-(4-fluoro-3-nitrophenyl)-6-methyl-2-phenylpyrimidin-4-amine
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| Formula |
C17H13FN4O2
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| Molecular Weight |
324.315
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| Canonical SMILES |
Cc1cc(Nc2ccc(F)c(c2)[N+]([O-])=O)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C17H13FN4O2/c1-11-9-16(21-17(19-11)12-5-3-2-4-6-12)20-13-7-8-14(18)15(10-13)22(23)24/h2-10H,1H3,(H,19,20,21)
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| InChIKey |
OLDQOYLHWBLNHR-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