General Information of the Compound
Compound ID
CP0897175
Compound Name
N-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-4-yloxy)phenyl)-4-(trifluoromethoxy)benzenesulfonamide
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Structure
Formula
C20H14F3N3O5S
Molecular Weight
465.409
Canonical SMILES
O=c1[nH]c2cccc(Oc3ccc(NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)cc3)c2[nH]1
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InChI
InChI=1S/C20H14F3N3O5S/c21-20(22,23)31-14-8-10-15(11-9-14)32(28,29)26-12-4-6-13(7-5-12)30-17-3-1-2-16-18(17)25-19(27)24-16/h1-11,26H,(H2,24,25,27)
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InChIKey
JZFWIQBFJMBMKY-UHFFFAOYSA-N
Physicochemical Property
logP
4.3479
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
113.28
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
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: 46228853
ChEMBL ID
CHEMBL597399
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: PT01381, Serine/threonine-protein kinase B-raf
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 100000 nM
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   LI
   LO
   TS