General Information of the Compound
Compound ID
CP0416836
Compound Name
N-cyclohexyl-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
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Structure
Formula
C23H22Cl2N4O2
Molecular Weight
457.361
Canonical SMILES
Cc1cc2c3[nH]c(Nc4c(Cl)cccc4Cl)nc3cc(C(=O)NC3CCCCC3)c2o1
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InChI
InChI=1S/C23H22Cl2N4O2/c1-12-10-14-19-18(27-23(28-19)29-20-16(24)8-5-9-17(20)25)11-15(21(14)31-12)22(30)26-13-6-3-2-4-7-13/h5,8-11,13H,2-4,6-7H2,1H3,(H,26,30)(H2,27,28,29)
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InChIKey
HMSNHVDJLVCERO-UHFFFAOYSA-N
Physicochemical Property
logP
6.73042
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
82.95
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 56968482
SID: 135688850
ChEMBL ID
CHEMBL4207445
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 = 26 nM
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