General Information of the Compound
Compound ID
CP0917375
Compound Name
4-chloro-N-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-4-yloxy)phenyl)-3-(trifluoromethyl)benzamide
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Structure
Formula
C21H13ClF3N3O3
Molecular Weight
447.8
Canonical SMILES
O=C(Nc1ccc(Oc2cccc3[nH]c(=O)[nH]c23)cc1)c1ccc(Cl)c(C(F)(F)F)c1
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InChI
InChI=1S/C21H13ClF3N3O3/c22-15-9-4-11(10-14(15)21(23,24)25)19(29)26-12-5-7-13(8-6-12)31-17-3-1-2-16-18(17)28-20(30)27-16/h1-10H,(H,26,29)(H2,27,28,30)
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InChIKey
CXYOIGZTRITQQY-UHFFFAOYSA-N
Physicochemical Property
logP
5.573
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
86.98
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
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: 46228900
ChEMBL ID
CHEMBL601302
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 = 15900 nM
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