General Information of the Compound
| Compound ID |
CP0493095
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| Compound Name |
N-[3-[1-[4-[1-(4-fluorophenyl)benzimidazol-2-yl]butyl]piperidin-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C30H33FN4O
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| Molecular Weight |
484.619
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)C1CCN(CCCCc2nc3ccccc3n2-c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C30H33FN4O/c1-22(36)32-26-8-6-7-24(21-26)23-16-19-34(20-17-23)18-5-4-11-30-33-28-9-2-3-10-29(28)35(30)27-14-12-25(31)13-15-27/h2-3,6-10,12-15,21,23H,4-5,11,16-20H2,1H3,(H,32,36)
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| InChIKey |
XWBYTRHYSGYXMI-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