General Information of the Compound
Compound ID
CP0444093
Compound Name
(5-Methoxy-indan-2-yl)-dipropyl-amine
    Show/Hide
Structure
Formula
C16H25NO
Molecular Weight
247.382
Canonical SMILES
CCCN(CCC)C1Cc2ccc(OC)cc2C1
    Show/Hide
InChI
InChI=1S/C16H25NO/c1-4-8-17(9-5-2)15-10-13-6-7-16(18-3)12-14(13)11-15/h6-7,12,15H,4-5,8-11H2,1-3H3
    Show/Hide
InChIKey
IZHPDJHRNYGLPC-UHFFFAOYSA-N
Physicochemical Property
logP
3.2844
Rotatable Bonds
6
Heavy Atom Count
18
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 11139462
SID: 16216954
ChEMBL ID
CHEMBL356823
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: PT00957, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 263 nM
   TI
   LI
   LO
   TS
Protein ID: PT01366, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 84 nM
   TI
   LI
   LO
   TS