General Information of the Compound
Compound ID
CP0407639
Compound Name
N-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-1-methylimidazole-4-sulfonamide
    Show/Hide
Structure
Formula
C26H25N5O5S
Molecular Weight
519.583
Canonical SMILES
Cn1cnc(c1)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1cccc(OCc2ccccc2)c1
    Show/Hide
InChI
InChI=1S/C26H25N5O5S/c1-29-15-25(27-17-29)37(33,34)28-21-13-22-23(31(3)26(32)30(22)2)14-24(21)36-20-11-7-10-19(12-20)35-16-18-8-5-4-6-9-18/h4-15,17,28H,16H2,1-3H3
    Show/Hide
InChIKey
KPYRLQFTLBYXKF-UHFFFAOYSA-N
Physicochemical Property
logP
3.7826
Rotatable Bonds
8
Heavy Atom Count
37
Polar Areas
109.38
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Complexity
37

"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: 118896423
ChEMBL ID
CHEMBL3775286
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: PT03579, Transcription intermediary factor 1-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 6200 nM
   TI
   LI
   LO
   TS