General Information of the Compound
| Compound ID |
CP0475063
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| Compound Name |
3-((5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl)methyl)benzonitrile
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| Structure |
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| Formula |
C21H15FN6
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| Molecular Weight |
370.391
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| Canonical SMILES |
Nc1nccc(n1)-c1nc(Cc2cccc(c2)C#N)[nH]c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C21H15FN6/c22-16-6-4-15(5-7-16)19-20(17-8-9-25-21(24)26-17)28-18(27-19)11-13-2-1-3-14(10-13)12-23/h1-10H,11H2,(H,27,28)(H2,24,25,26)
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| InChIKey |
WHCSHUSFKDBVNT-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