General Information of the Compound
Compound ID
CP0566527
Compound Name
3-[3-(4,4-diphenylpiperidin-1-yl)propyl-methylamino]phenol
    Show/Hide
Structure
Formula
C27H32N2O
Molecular Weight
400.566
Canonical SMILES
CN(CCCN1CCC(CC1)(c1ccccc1)c1ccccc1)c1cccc(O)c1
    Show/Hide
InChI
InChI=1S/C27H32N2O/c1-28(25-14-8-15-26(30)22-25)18-9-19-29-20-16-27(17-21-29,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-8,10-15,22,30H,9,16-21H2,1H3
    Show/Hide
InChIKey
AFDSSVNGSLDLQA-UHFFFAOYSA-N
Physicochemical Property
logP
5.3006
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
26.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 90656707
ChEMBL ID
CHEMBL3262426
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: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 242.1 nM
   TI
   LI
   LO
   TS