General Information of the Compound
Compound ID
CP0395466
Compound Name
(3-Phenoxy-propyl)-(3-phenyl-propyl)-amine
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Structure
Formula
C18H23NO
Molecular Weight
269.388
Canonical SMILES
C(CNCCCc1ccccc1)COc1ccccc1
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InChI
InChI=1S/C18H23NO/c1-3-9-17(10-4-1)11-7-14-19-15-8-16-20-18-12-5-2-6-13-18/h1-6,9-10,12-13,19H,7-8,11,14-16H2
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InChIKey
AHYUXDAZVIOABZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.6779
Rotatable Bonds
9
Heavy Atom Count
20
Polar Areas
21.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 9948461
SID: 15816675
ChEMBL ID
CHEMBL129931
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: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 519 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 17 nM
   TI
   LI
   LO
   TS
Protein ID: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 3.3 nM
   TI
   LI
   LO
   TS