General Information of the Compound
| Compound ID |
CP0523733
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| Compound Name |
1-[(4-fluorophenyl)methyl]-N-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-4-yl]benzimidazol-2-amine
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| Structure |
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| Formula |
C28H28F4N4O
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| Molecular Weight |
512.551
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| Canonical SMILES |
Fc1ccc(Cn2c(NC3CCN(CCc4ccc(OC(F)(F)F)cc4)CC3)nc3ccccc23)cc1
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| InChI |
InChI=1S/C28H28F4N4O/c29-22-9-5-21(6-10-22)19-36-26-4-2-1-3-25(26)34-27(36)33-23-14-17-35(18-15-23)16-13-20-7-11-24(12-8-20)37-28(30,31)32/h1-12,23H,13-19H2,(H,33,34)
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| InChIKey |
XGCIBUPOYFXPRN-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