General Information of the Compound
Compound ID
CP0955199
Compound Name
(6-cyclopropyl-1-ethyl-1H-benzo[d]imidazol-2-yl)diphenylmethanol
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Structure
Formula
C25H24N2O
Molecular Weight
368.48
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C3CC3)cc21
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InChI
InChI=1S/C25H24N2O/c1-2-27-23-17-19(18-13-14-18)15-16-22(23)26-24(27)25(28,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,15-18,28H,2,13-14H2,1H3
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InChIKey
XDPJWTKIWJDBAE-UHFFFAOYSA-N
Physicochemical Property
logP
5.2178
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
38.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 118519262
ChEMBL ID
CHEMBL4542024
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 = 250 nM
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