General Information of the Compound
Compound ID
CP0485746
Compound Name
4-butyl-N-phenylbenzamide
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Synonyms
4-butyl-N-phenylbenzamide
BDBM50376283
CHEMBL260465
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Structure
Formula
C17H19NO
Molecular Weight
253.345
Canonical SMILES
CCCCc1ccc(cc1)C(=O)Nc1ccccc1
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InChI
InChI=1S/C17H19NO/c1-2-3-7-14-10-12-15(13-11-14)17(19)18-16-8-5-4-6-9-16/h4-6,8-13H,2-3,7H2,1H3,(H,18,19)
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InChIKey
PNJHOPPVHVQWPM-UHFFFAOYSA-N
Physicochemical Property
logP
4.2815
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
19

"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: 44450366
ChEMBL ID
CHEMBL260465
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 = 6272 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-butyl-N-phenylbenzamide )
Drug Name 4-butyl-N-phenylbenzamide
Target(s)
Transient receptor potential cation channel V1 (TRPV1)
Inhibitor