General Information of the Compound
| Compound ID |
CP0442611
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| Compound Name |
N-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine
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| Structure |
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| Formula |
C23H25F7N2
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| Molecular Weight |
462.453
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| Canonical SMILES |
Fc1ccc(CN(CCCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2CCNCC2)cc1
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| InChI |
InChI=1S/C23H25F7N2/c24-20-5-3-16(4-6-20)15-32(21-7-9-31-10-8-21)11-1-2-17-12-18(22(25,26)27)14-19(13-17)23(28,29)30/h3-6,12-14,21,31H,1-2,7-11,15H2
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| InChIKey |
BYKVRDYRZVKOEH-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