General Information of the Compound
Compound ID
CP0910223
Compound Name
(R)-2-(hydroxydiphenylmethyl)-N-(2-hydroxypropyl)-1-methyl-1H-benzo[d]imidazole-6-carboxamide
    Show/Hide
Structure
Formula
C25H25N3O3
Molecular Weight
415.493
Canonical SMILES
C[C@@H](O)CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(C)c2c1
    Show/Hide
InChI
InChI=1S/C25H25N3O3/c1-17(29)16-26-23(30)18-13-14-21-22(15-18)28(2)24(27-21)25(31,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,17,29,31H,16H2,1-2H3,(H,26,30)/t17-/m1/s1
    Show/Hide
InChIKey
OBAMRHUJXXGMAF-QGZVFWFLSA-N
Physicochemical Property
logP
2.9681
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
87.38
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 126726374
ChEMBL ID
CHEMBL4582788
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
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 50 nM
   TI
   LI
   LO
   TS