General Information of the Compound
| Compound ID |
CP0428041
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenyl-2-(2-piperidin-1-ylethylamino)acetamide
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| Structure |
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| Formula |
C24H27F6N3O
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| Molecular Weight |
487.488
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| Canonical SMILES |
FC(F)(F)c1cc(CNC(=O)C(NCCN2CCCCC2)c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H27F6N3O/c25-23(26,27)19-13-17(14-20(15-19)24(28,29)30)16-32-22(34)21(18-7-3-1-4-8-18)31-9-12-33-10-5-2-6-11-33/h1,3-4,7-8,13-15,21,31H,2,5-6,9-12,16H2,(H,32,34)
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| InChIKey |
BHCROBUDGYXOFC-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