General Information of the Compound
Compound ID
CP0465071
Compound Name
2-[4-(1-amino-2,4-dicyano-6-methylpyrido[1,2-a]benzimidazol-3-yl)phenoxy]acetamide
    Show/Hide
Structure
Formula
C22H16N6O2
Molecular Weight
396.41
Canonical SMILES
Cc1cccc2c1nc1c(C#N)c(-c3ccc(OCC(N)=O)cc3)c(C#N)c(N)n21
    Show/Hide
InChI
InChI=1S/C22H16N6O2/c1-12-3-2-4-17-20(12)27-22-16(10-24)19(15(9-23)21(26)28(17)22)13-5-7-14(8-6-13)30-11-18(25)29/h2-8H,11,26H2,1H3,(H2,25,29)
    Show/Hide
InChIKey
FOFBQRRFMAZPRR-UHFFFAOYSA-N
Physicochemical Property
logP
2.65258
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
143.22
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
30

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 56673362
ChEMBL ID
CHEMBL1795780
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: PT05158, Perforin-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000001 Jurkat Homo sapiens (Human)  1
1
IC50 = 6870 nM
   TI
   LI
   LO
   TS