General Information of the Compound
Compound ID
CP0560005
Compound Name
4-acetyl-N-(4-iodophenyl)benzamide
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Structure
Formula
C15H12INO2
Molecular Weight
365.17
Canonical SMILES
CC(=O)c1ccc(cc1)C(=O)Nc1ccc(I)cc1
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InChI
InChI=1S/C15H12INO2/c1-10(18)11-2-4-12(5-3-11)15(19)17-14-8-6-13(16)7-9-14/h2-9H,1H3,(H,17,19)
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InChIKey
HXDMLFRKCRCPTO-UHFFFAOYSA-N
Physicochemical Property
logP
3.7461
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
46.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 44447613
ChEMBL ID
CHEMBL252012
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)  1
1
IC50 > 10000 nM
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   LI
   LO
   TS