General Information of the Compound
Compound ID
CP0494122
Compound Name
4-(1-amino-2,4-dicyanopyrido[1,2-a]benzimidazol-3-yl)-N-[2-(dimethylamino)ethyl]benzamide
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Structure
Formula
C24H21N7O
Molecular Weight
423.48
Canonical SMILES
CN(C)CCNC(=O)c1ccc(cc1)-c1c(C#N)c(N)n2c3ccccc3nc2c1C#N
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InChI
InChI=1S/C24H21N7O/c1-30(2)12-11-28-24(32)16-9-7-15(8-10-16)21-17(13-25)22(27)31-20-6-4-3-5-19(20)29-23(31)18(21)14-26/h3-10H,11-12,27H2,1-2H3,(H,28,32)
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InChIKey
DSILNIPZBCHLHD-UHFFFAOYSA-N
Physicochemical Property
logP
2.77146
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
123.24
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
32

"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: 56680006
ChEMBL ID
CHEMBL1795776
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 > 20000 nM
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