General Information of the Compound
Compound ID
CP0910227
Compound Name
1-ethyl-5-fluoro-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazole-6-sulfonamide
    Show/Hide
Structure
Formula
C22H20FN3O3S
Molecular Weight
425.485
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2cc(F)c(S(N)(=O)=O)cc21
    Show/Hide
InChI
InChI=1S/C22H20FN3O3S/c1-2-26-19-14-20(30(24,28)29)17(23)13-18(19)25-21(26)22(27,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,27H,2H2,1H3,(H2,24,28,29)
    Show/Hide
InChIKey
CGSJBKFEHCYJAD-UHFFFAOYSA-N
Physicochemical Property
logP
3.1269
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
98.21
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
30

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 126726422
ChEMBL ID
CHEMBL4546334
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: PT05157, Acetyl-coenzyme A synthetase, cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116 Homo sapiens (Human)  1
1
IC50 < 50 nM
   TI
   LI
   LO
   TS