General Information of the Compound
| Compound ID |
CP0548061
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| Compound Name |
2-fluoro-5-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzonitrile
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| Formula |
C18H13FN4
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| Molecular Weight |
304.328
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| Canonical SMILES |
Cc1cc(Nc2ccc(F)c(c2)C#N)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C18H13FN4/c1-12-9-17(22-15-7-8-16(19)14(10-15)11-20)23-18(21-12)13-5-3-2-4-6-13/h2-10H,1H3,(H,21,22,23)
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| InChIKey |
TVSOIMBGLCHQIY-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