General Information of the Compound
Compound ID
CP0558093
Compound Name
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
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Formula
C23H21N7O2
Molecular Weight
427.468
Canonical SMILES
CCn1c(nc2nc(OC)c(cc12)-c1nnn[nH]1)C(O)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C23H21N7O2/c1-3-30-18-14-17(19-26-28-29-27-19)21(32-2)24-20(18)25-22(30)23(31,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,31H,3H2,1-2H3,(H,26,27,28,29)
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InChIKey
PIORGXJUYSQCOG-UHFFFAOYSA-N
Physicochemical Property
logP
2.9241
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
114.63
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
32

"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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ChEMBL ID
CHEMBL4853889
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
CL000591 HCT 15 Homo sapiens (Human)  1
1
IC50 = 0.01 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.01 nM