General Information of the Compound
Compound ID
CP0288253
Compound Name
N-(2-chloro-6-methylphenyl)-1-(6-chloropyrimidin-4-yl)benzimidazol-2-amine
    Show/Hide
Structure
Formula
C18H13Cl2N5
Molecular Weight
370.243
Canonical SMILES
Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(Cl)ncn1
    Show/Hide
InChI
InChI=1S/C18H13Cl2N5/c1-11-5-4-6-12(19)17(11)24-18-23-13-7-2-3-8-14(13)25(18)16-9-15(20)21-10-22-16/h2-10H,1H3,(H,23,24)
    Show/Hide
InChIKey
KWIZJTLRQLEMEN-UHFFFAOYSA-N
Physicochemical Property
logP
5.17432
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
55.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 15949711
SID: 22421123
ChEMBL ID
CHEMBL476989
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: PT00876, Tyrosine-protein kinase Lck
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 5704 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 2500 nM