General Information of the Compound
Compound ID
CP0436831
Compound Name
N,N-dipropyl-6,7,8,9-tetrahydrobenzo[g][1]benzofuran-8-amine
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Structure
Formula
C18H25NO
Molecular Weight
271.404
Canonical SMILES
CCCN(CCC)C1CCc2ccc3ccoc3c2C1
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InChI
InChI=1S/C18H25NO/c1-3-10-19(11-4-2)16-8-7-14-5-6-15-9-12-20-18(15)17(14)13-16/h5-6,9,12,16H,3-4,7-8,10-11,13H2,1-2H3
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InChIKey
VFZOPLQXSQRUHM-UHFFFAOYSA-N
Physicochemical Property
logP
4.4121
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
16.38
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).

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PubChem ID
CID: 10333405
SID: 15343968
ChEMBL ID
CHEMBL93186
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 6.1 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)  1
1
Ki = 16.2 nM
   TI
   LI
   LO
   TS