General Information of the Compound
Compound ID
CP0882904
Compound Name
N-{5-[(2,4-Difluomphenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-7-yl}acetamide
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Structure
Formula
C23H19F3N4O3S
Molecular Weight
488.491
Canonical SMILES
CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2ncn(CCc3ccc(F)cc3)c12
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InChI
InChI=1S/C23H19F3N4O3S/c1-14(31)28-22-12-18(34(32,33)29-20-7-6-17(25)10-19(20)26)11-21-23(22)30(13-27-21)9-8-15-2-4-16(24)5-3-15/h2-7,10-13,29H,8-9H2,1H3,(H,28,31)
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InChIKey
ACVUXKZLPZPVAZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.4555
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
93.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
34

"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: 122179031
ChEMBL ID
CHEMBL3581720
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: PT03938, Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000742 FreeStyle 293-F Homo sapiens (Human)  1
1
IC50 = 170 nM
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