General Information of the Compound
Compound ID
CP0944457
Compound Name
(2R)-1-((1-(1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazol-6-yl)-2,2,2-trifluoroethyl)amino)propan-2-ol
    Show/Hide
Structure
Formula
C27H28F3N3O2
Molecular Weight
483.534
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(NC[C@@H](C)O)C(F)(F)F)cc21
    Show/Hide
InChI
InChI=1S/C27H28F3N3O2/c1-3-33-23-16-19(24(27(28,29)30)31-17-18(2)34)14-15-22(23)32-25(33)26(35,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,18,24,31,34-35H,3,17H2,1-2H3/t18-,24?/m1/s1
    Show/Hide
InChIKey
RIWJQEKJCQCWFW-QFADGXAASA-N
Physicochemical Property
logP
4.9142
Rotatable Bonds
8
Heavy Atom Count
35
Polar Areas
70.31
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
35

"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: 118515873
ChEMBL ID
CHEMBL4569276
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
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS