General Information of the Compound
Compound ID
CP0497408
Compound Name
[1-[(4-methylphenyl)methyl]piperidin-4-yl]-diphenylmethanol
    Show/Hide
Structure
Formula
C26H29NO
Molecular Weight
371.524
Canonical SMILES
Cc1ccc(CN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
    Show/Hide
InChI
InChI=1S/C26H29NO/c1-21-12-14-22(15-13-21)20-27-18-16-25(17-19-27)26(28,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25,28H,16-20H2,1H3
    Show/Hide
InChIKey
DIADJINIBFEMEL-UHFFFAOYSA-N
Physicochemical Property
logP
5.14312
Rotatable Bonds
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44622869
SID: 87548100
ChEMBL ID
CHEMBL571390
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: PT01206, Histamine H1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 16 nM
   TI
   LI
   LO
   TS