General Information of the Compound
Compound ID
CP0374511
Compound Name
5-Cyclopentyloxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole
    Show/Hide
Structure
Formula
C28H37N3O2
Molecular Weight
447.623
Canonical SMILES
COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(OC4CCCC4)cc23)CC1
    Show/Hide
InChI
InChI=1S/C28H37N3O2/c1-32-24-11-9-23(10-12-24)31-18-16-30(17-19-31)15-5-4-6-22-21-29-28-14-13-26(20-27(22)28)33-25-7-2-3-8-25/h9-14,20-21,25,29H,2-8,15-19H2,1H3
    Show/Hide
InChIKey
GOHAIWYNEPLTLZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.6428
Rotatable Bonds
9
Heavy Atom Count
33
Polar Areas
40.73
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 44396486
ChEMBL ID
CHEMBL364341
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: PT01448, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 90 nM
   TI
   LI
   LO
   TS