General Information of the Compound
Compound ID
CP0394205
Compound Name
4-octyl-N-quinolin-3-ylbenzamide
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Synonyms
4-octyl-N-(quinolin-3-yl)benzamide
4-octyl-N-quinolin-3-ylbenzamide
AC1MZP51
BDBM50376278
CHEMBL406859
SCHEMBL846096
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Structure
Formula
C24H28N2O
Molecular Weight
360.501
Canonical SMILES
CCCCCCCCc1ccc(cc1)C(=O)Nc1cnc2ccccc2c1
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InChI
InChI=1S/C24H28N2O/c1-2-3-4-5-6-7-10-19-13-15-20(16-14-19)24(27)26-22-17-21-11-8-9-12-23(21)25-18-22/h8-9,11-18H,2-7,10H2,1H3,(H,26,27)
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InChIKey
QXGPHMISVLJYDS-UHFFFAOYSA-N
Physicochemical Property
logP
6.3901
Rotatable Bonds
9
Heavy Atom Count
27
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 3904199
ChEMBL ID
CHEMBL406859
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
2
Ki = 2080 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-octyl-N-(quinolin-3-yl)benzamide )
Drug Name 4-octyl-N-(quinolin-3-yl)benzamide
Target(s)
Transient receptor potential cation channel V1 (TRPV1)
Inhibitor