General Information of the Compound
Compound ID
CP0550326
Compound Name
2-(2,6-dichloroanilino)-N-(2-fluorophenyl)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
    Show/Hide
Structure
Formula
C23H15Cl2FN4O2
Molecular Weight
469.303
Canonical SMILES
Cc1cc2c3[nH]c(Nc4c(Cl)cccc4Cl)nc3cc(C(=O)Nc3ccccc3F)c2o1
    Show/Hide
InChI
InChI=1S/C23H15Cl2FN4O2/c1-11-9-12-19-18(28-23(29-19)30-20-14(24)5-4-6-15(20)25)10-13(21(12)32-11)22(31)27-17-8-3-2-7-16(17)26/h2-10H,1H3,(H,27,31)(H2,28,29,30)
    Show/Hide
InChIKey
IKHHEZXTMIZYGD-UHFFFAOYSA-N
Physicochemical Property
logP
7.05932
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
82.95
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 67503100
ChEMBL ID
CHEMBL4212535
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: PT02025, Prostaglandin E synthase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 10 nM
   TI
   LI
   LO
   TS