General Information of the Compound
| Compound ID |
CP0498429
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| Compound Name |
3-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]-N-piperidin-4-ylpropanamide
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| Structure |
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| Formula |
C23H23ClF6N2O
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| Molecular Weight |
492.891
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| Canonical SMILES |
FC(F)(F)c1cc(CCC(=O)N(Cc2ccccc2Cl)C2CCNCC2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H23ClF6N2O/c24-20-4-2-1-3-16(20)14-32(19-7-9-31-10-8-19)21(33)6-5-15-11-17(22(25,26)27)13-18(12-15)23(28,29)30/h1-4,11-13,19,31H,5-10,14H2
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| InChIKey |
NZOFVPRTCOQCBG-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