General Information of the Compound
| Compound ID |
CP0522410
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| Compound Name |
3-((5-(2-(4-methoxybenzylamino)pyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl)methyl)benzonitrile
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| Structure |
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| Formula |
C29H23FN6O
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| Molecular Weight |
490.542
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| Canonical SMILES |
COc1ccc(CNc2nccc(n2)-c2nc(Cc3cccc(c3)C#N)[nH]c2-c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C29H23FN6O/c1-37-24-11-5-19(6-12-24)18-33-29-32-14-13-25(34-29)28-27(22-7-9-23(30)10-8-22)35-26(36-28)16-20-3-2-4-21(15-20)17-31/h2-15H,16,18H2,1H3,(H,35,36)(H,32,33,34)
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| InChIKey |
HXKILTFWVULVCK-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