General Information of the Compound
Compound ID
CP0954193
Compound Name
(4-ethyl-1-methyl-1,4-dihydroimidazo[4,5-c]pyrazol-5-yl)diphenylmethanol
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Structure
Formula
C20H20N4O
Molecular Weight
332.407
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2c1cnn2C
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InChI
InChI=1S/C20H20N4O/c1-3-24-17-14-21-23(2)18(17)22-19(24)20(25,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,25H,3H2,1-2H3
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InChIKey
FENUQVNPWGZPPC-UHFFFAOYSA-N
Physicochemical Property
logP
3.0739
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
55.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 118515986
ChEMBL ID
CHEMBL4546194
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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