General Information of the Compound
Compound ID
CP0524586
Compound Name
4-(4-Chloro-phenyl)-1-(4-trifluoromethyl-benzyl)-piperidin-4-ol
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Structure
Formula
C19H19ClF3NO
Molecular Weight
369.814
Canonical SMILES
OC1(CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c1ccc(Cl)cc1
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InChI
InChI=1S/C19H19ClF3NO/c20-17-7-5-15(6-8-17)18(25)9-11-24(12-10-18)13-14-1-3-16(4-2-14)19(21,22)23/h1-8,25H,9-13H2
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InChIKey
DUGOWPBTYKTTCP-UHFFFAOYSA-N
Physicochemical Property
logP
4.8424
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
25

"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).

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PubChem ID
CID: 44339540
ChEMBL ID
CHEMBL109803
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01360, Nociceptin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 307 nM
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   LI
   LO
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