General Information of the Compound
Compound ID
CP0433970
Compound Name
1-(bis(2-bromophenyl)methyl)-4-phenylpiperidin-4-ol
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Structure
Formula
C24H23Br2NO
Molecular Weight
501.262
Canonical SMILES
OC1(CCN(CC1)C(c1ccccc1Br)c1ccccc1Br)c1ccccc1
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InChI
InChI=1S/C24H23Br2NO/c25-21-12-6-4-10-19(21)23(20-11-5-7-13-22(20)26)27-16-14-24(28,15-17-27)18-8-2-1-3-9-18/h1-13,23,28H,14-17H2
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InChIKey
SZRDKDPGVLBEJJ-UHFFFAOYSA-N
Physicochemical Property
logP
6.2846
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 44426842
ChEMBL ID
CHEMBL389666
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 21 nM
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   LI
   LO
   TS