General Information of the Compound
Compound ID
CP0901364
Compound Name
(3-ethyl-4-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)diphenylmethanol
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Structure
Formula
C22H21N3O2
Molecular Weight
359.429
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccnc(OC)c21
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InChI
InChI=1S/C22H21N3O2/c1-3-25-19-18(14-15-23-20(19)27-2)24-21(25)22(26,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15,26H,3H2,1-2H3
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InChIKey
JMXSKTRJMUMIRZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.744
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
60.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 126726493
ChEMBL ID
CHEMBL4585029
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