General Information of the Compound
Compound ID
CP0434720
Compound Name
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzamide
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Structure
Formula
C24H25N3O
Molecular Weight
371.484
Canonical SMILES
CN1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
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InChI
InChI=1S/C24H25N3O/c1-26-15-17-27(18-16-26)23-13-11-22(12-14-23)25-24(28)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-14H,15-18H2,1H3,(H,25,28)
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InChIKey
UBFXTDOIAGNQNI-UHFFFAOYSA-N
Physicochemical Property
logP
4.3577
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
35.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 2986199
ChEMBL ID
CHEMBL2407269
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 = 520 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000900 ScN2a-cl3 Mus musculus (Mouse)  1
1
LD50 > 5000 nM
   TI
   LI
   LO
   TS