General Information of the Compound
Compound ID
CP0469225
Compound Name
(5,6-Dimethoxy-indan-2-yl)-(3-fluoro-propyl)-propyl-amine
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Structure
Formula
C17H26FNO2
Molecular Weight
295.398
Canonical SMILES
CCCN(CCCF)C1Cc2cc(OC)c(OC)cc2C1
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InChI
InChI=1S/C17H26FNO2/c1-4-7-19(8-5-6-18)15-9-13-11-16(20-2)17(21-3)12-14(13)10-15/h11-12,15H,4-10H2,1-3H3
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InChIKey
GKMPOKJUCTTXEA-UHFFFAOYSA-N
Physicochemical Property
logP
3.2426
Rotatable Bonds
8
Heavy Atom Count
21
Polar Areas
21.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
21

"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).

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PubChem ID
CID: 10880968
SID: 15927029
ChEMBL ID
CHEMBL423371
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 = 1840 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 = 342 nM
   TI
   LI
   LO
   TS