General Information of the Compound
| Compound ID |
CP0198449
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| Compound Name |
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[5-(4-fluorophenyl)pentyl]piperidin-4-ol
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| Structure |
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| Formula |
C23H26ClF4NO
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| Molecular Weight |
443.912
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| Canonical SMILES |
OC1(CCN(CCCCCc2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H26ClF4NO/c24-21-10-7-18(16-20(21)23(26,27)28)22(30)11-14-29(15-12-22)13-3-1-2-4-17-5-8-19(25)9-6-17/h5-10,16,30H,1-4,11-15H2
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| InChIKey |
UBNDBTRGSCEYOS-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01206, Histamine H1 receptor
Protein ID: PT01357, Histamine H2 receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Cell Viability or Cytotoxicity Assay