General Information of the Compound
Compound ID
CP0380001
Compound Name
3-[(4-phenylpiperazin-1-yl)methyl]-1-pyridin-2-ylindole
    Show/Hide
Structure
Formula
C24H24N4
Molecular Weight
368.484
Canonical SMILES
C(N1CCN(CC1)c1ccccc1)c1cn(-c2ccccn2)c2ccccc12
    Show/Hide
InChI
InChI=1S/C24H24N4/c1-2-8-21(9-3-1)27-16-14-26(15-17-27)18-20-19-28(24-12-6-7-13-25-24)23-11-5-4-10-22(20)23/h1-13,19H,14-18H2
    Show/Hide
InChIKey
HSLSFIHZBAEOEB-UHFFFAOYSA-N
Physicochemical Property
logP
4.3477
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
24.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 76336182
ChEMBL ID
CHEMBL3121430
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 = 189 nM
   TI
   LI
   LO
   TS