General Information of the Compound
Compound ID
CP0374180
Compound Name
(3-Phenoxy-propyl)-(3-p-tolyl-propyl)-amine
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Structure
Formula
C19H25NO
Molecular Weight
283.415
Canonical SMILES
Cc1ccc(CCCNCCCOc2ccccc2)cc1
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InChI
InChI=1S/C19H25NO/c1-17-10-12-18(13-11-17)7-5-14-20-15-6-16-21-19-8-3-2-4-9-19/h2-4,8-13,20H,5-7,14-16H2,1H3
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InChIKey
ALJVVUIFWXGXTR-UHFFFAOYSA-N
Physicochemical Property
logP
3.98632
Rotatable Bonds
9
Heavy Atom Count
21
Polar Areas
21.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 9948965
SID: 15742864
ChEMBL ID
CHEMBL334989
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 = 364 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 = 347 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 = 4.7 nM
   TI
   LI
   LO
   TS