General Information of the Compound
Compound ID
CP0446288
Compound Name
2-(2-chloro-6-fluoroanilino)-N-(cyclohexylmethyl)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
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Structure
Formula
C24H24ClFN4O2
Molecular Weight
454.933
Canonical SMILES
Cc1cc2c(o1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)NCC1CCCCC1
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InChI
InChI=1S/C24H24ClFN4O2/c1-13-10-15-20-19(28-24(29-20)30-21-17(25)8-5-9-18(21)26)11-16(22(15)32-13)23(31)27-12-14-6-3-2-4-7-14/h5,8-11,14H,2-4,6-7,12H2,1H3,(H,27,31)(H2,28,29,30)
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InChIKey
SLFCXGUCAGIBDJ-UHFFFAOYSA-N
Physicochemical Property
logP
6.46372
Rotatable Bonds
5
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).

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PubChem ID
CID: 56969375
SID: 135689749
ChEMBL ID
CHEMBL4215371
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 = 11 nM
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