General Information of the Compound
| Compound ID |
CP0225408
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| Compound Name |
9-(4-{4-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-amino]-benzoimidazol-1-yl}-butyl)-9H-fluorene-9-carboxylic acid (2,2,2-trifluoro-ethyl)-amide
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| Structure |
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| Formula |
C41H32F6N4O2
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| Molecular Weight |
726.721
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| Canonical SMILES |
FC(F)(F)CNC(=O)C1(CCCCn2cnc3c(NC(=O)c4ccccc4-c4ccc(cc4)C(F)(F)F)cccc23)c2ccccc2-c2ccccc12
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| InChI |
InChI=1S/C41H32F6N4O2/c42-40(43,44)24-48-38(53)39(32-14-5-3-11-29(32)30-12-4-6-15-33(30)39)22-7-8-23-51-25-49-36-34(16-9-17-35(36)51)50-37(52)31-13-2-1-10-28(31)26-18-20-27(21-19-26)41(45,46)47/h1-6,9-21,25H,7-8,22-24H2,(H,48,53)(H,50,52)
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| InChIKey |
WFOHFXRVZBRLFW-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