General Information of the Compound
Compound ID
CP0514036
Compound Name
(2,3,5,6,7,8-Hexahydro-naphtho[2,3-b]furan-7-yl)-dipropyl-amine
    Show/Hide
Synonyms
(+)-S-14297
(+)S14297
    Show/Hide
Structure
Formula
C18H27NO
Molecular Weight
273.42
Canonical SMILES
CCCN(CCC)C1CCc2cc3CCOc3cc2C1
    Show/Hide
InChI
InChI=1S/C18H27NO/c1-3-8-19(9-4-2)17-6-5-14-11-15-7-10-20-18(15)13-16(14)12-17/h11,13,17H,3-10,12H2,1-2H3
    Show/Hide
InChIKey
IJICKINLCUKIHY-UHFFFAOYSA-N
CAS
157622-55-4
Physicochemical Property
logP
3.6008
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
12.47
Hydrogen Bond Donor Count
0
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 115007
SID: 14799405
ChEMBL ID
CHEMBL140184
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 251.19 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
Ki = 12.59 nM
   TI
   LI
   LO
   TS
2
Ki = 13 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (+)-S-14297 )
Drug Name (+)-S-14297
Target(s)
Dopamine D2 receptor (D2R)
Antagonist
Dopamine D3 receptor (D3R)
Antagonist