General Information of the Compound
Compound ID
CP0401623
Compound Name
4-[2-[6-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]benzamide
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Structure
Formula
C25H34N2O
Molecular Weight
378.56
Canonical SMILES
CCCN(CCC)C1CCc2cc(CCc3ccc(cc3)C(N)=O)ccc2C1
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InChI
InChI=1S/C25H34N2O/c1-3-15-27(16-4-2)24-14-13-22-17-20(9-12-23(22)18-24)6-5-19-7-10-21(11-8-19)25(26)28/h7-12,17,24H,3-6,13-16,18H2,1-2H3,(H2,26,28)
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InChIKey
DLERAOZJAKJMFQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.55
Rotatable Bonds
9
Heavy Atom Count
28
Polar Areas
46.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 44353394
ChEMBL ID
CHEMBL130386
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: 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 = 630.96 nM
   TI
   LI
   LO
   TS