General Information of the Compound
Compound ID
CP0409491
Compound Name
(5,6-Dimethoxy-indan-2-yl)-ethyl-propyl-amine
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Structure
Formula
C16H25NO2
Molecular Weight
263.381
Canonical SMILES
CCCN(CC)C1Cc2cc(OC)c(OC)cc2C1
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InChI
InChI=1S/C16H25NO2/c1-5-7-17(6-2)14-8-12-10-15(18-3)16(19-4)11-13(12)9-14/h10-11,14H,5-9H2,1-4H3
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InChIKey
HQRJDVRCEULSCC-UHFFFAOYSA-N
Physicochemical Property
logP
2.9029
Rotatable Bonds
6
Heavy Atom Count
19
Polar Areas
21.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 11010820
SID: 16072174
ChEMBL ID
CHEMBL142684
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 = 374 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 = 65 nM
   TI
   LI
   LO
   TS