General Information of the Compound
Compound ID
CP0887688
Compound Name
4-(1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazol-6-yl)butan-2-ol
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Structure
Formula
C26H28N2O2
Molecular Weight
400.522
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CCC(C)O)cc21
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InChI
InChI=1S/C26H28N2O2/c1-3-28-24-18-20(15-14-19(2)29)16-17-23(24)27-25(28)26(30,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,16-19,29-30H,3,14-15H2,1-2H3
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InChIKey
MURLQAMQQOSRGU-UHFFFAOYSA-N
Physicochemical Property
logP
4.6538
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
58.28
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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).

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PubChem ID
CID: 118519292
ChEMBL ID
CHEMBL4543423
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 < 50 nM
   TI
   LI
   LO
   TS