General Information of the Compound
Compound ID
CP0233039
Compound Name
N-(6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl)acetamide
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Structure
Formula
C21H24N2O
Molecular Weight
320.436
Canonical SMILES
CCCN1CCc2cccc3-c4cc(NC(C)=O)ccc4CC1c23
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InChI
InChI=1S/C21H24N2O/c1-3-10-23-11-9-15-5-4-6-18-19-13-17(22-14(2)24)8-7-16(19)12-20(23)21(15)18/h4-8,13,20H,3,9-12H2,1-2H3,(H,22,24)
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InChIKey
OBTDOTZFQHKBDJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.1773
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 156012190
ChEMBL ID
CHEMBL4637084
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 = 21 nM
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   LI
   LO
   TS