General Information of the Compound
| Compound ID |
CP0487000
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| Compound Name |
3-((5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-1-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)-c1c(ncn1Cc1cccc(c1)C#N)-c1ccc(F)cc1
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| InChI |
InChI=1S/C21H15FN6/c22-17-6-4-16(5-7-17)19-20(18-8-9-25-21(24)27-18)28(13-26-19)12-15-3-1-2-14(10-15)11-23/h1-10,13H,12H2,(H2,24,25,27)
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| InChIKey |
VRZNBUUVGYBDAR-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