General Information of the Compound
Compound ID
CP0456190
Compound Name
N-(4-acetylphenyl)-4-phenylbenzamide
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Structure
Formula
C21H17NO2
Molecular Weight
315.372
Canonical SMILES
CC(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
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InChI
InChI=1S/C21H17NO2/c1-15(23)16-11-13-20(14-12-16)22-21(24)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14H,1H3,(H,22,24)
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InChIKey
RTOMUFLVUUQGRB-UHFFFAOYSA-N
Physicochemical Property
logP
4.8085
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
46.17
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: 788878
ChEMBL ID
CHEMBL2407268
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: PT06141, Major prion protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000900 ScN2a-cl3 Mus musculus (Mouse)  1
1
EC50 = 861 nM
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