General Information of the Compound
| Compound ID |
CP0454352
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| Compound Name |
3-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-fluorophenyl)methyl]-N-piperidin-4-ylpropanamide
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| Structure |
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| Formula |
C23H23F7N2O
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| Molecular Weight |
476.436
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| Canonical SMILES |
Fc1ccc(CN(C2CCNCC2)C(=O)CCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
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| InChI |
InChI=1S/C23H23F7N2O/c24-19-4-1-15(2-5-19)14-32(20-7-9-31-10-8-20)21(33)6-3-16-11-17(22(25,26)27)13-18(12-16)23(28,29)30/h1-2,4-5,11-13,20,31H,3,6-10,14H2
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| InChIKey |
WCRJVNAJGCBJAA-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