General Information of the Compound
| Compound ID |
CP0463859
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| Compound Name |
2-[(3,5-Bis-trifluoromethyl-benzoyl)-methyl-amino]-4'-chloro-biphenyl-4-carboxylic acid cyclohexylamide
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| Structure |
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| Formula |
C29H25ClF6N2O2
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| Molecular Weight |
582.972
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| Canonical SMILES |
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C29H25ClF6N2O2/c1-38(27(40)19-13-20(28(31,32)33)16-21(14-19)29(34,35)36)25-15-18(26(39)37-23-5-3-2-4-6-23)9-12-24(25)17-7-10-22(30)11-8-17/h7-16,23H,2-6H2,1H3,(H,37,39)
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| InChIKey |
UMFLKMBGQGRGDT-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