General Information of the Compound
Compound ID |
CP0493096
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Compound Name |
N-[3-[1-[2-[1-(4-fluorophenyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]phenyl]acetamide
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Structure |
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Formula |
C28H29FN4O
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Molecular Weight |
456.565
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Canonical SMILES |
CC(=O)Nc1cccc(c1)C1CCN(CCc2nc3ccccc3n2-c2ccc(F)cc2)CC1
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InChI |
InChI=1S/C28H29FN4O/c1-20(34)30-24-6-4-5-22(19-24)21-13-16-32(17-14-21)18-15-28-31-26-7-2-3-8-27(26)33(28)25-11-9-23(29)10-12-25/h2-12,19,21H,13-18H2,1H3,(H,30,34)
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InChIKey |
PLBUWRAQUFITGN-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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