General Information of the Compound
Compound ID
CP0367982
Compound Name
3-imidazo[1,5-a]pyridin-7-yl-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
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Structure
Formula
C21H20N4OS
Molecular Weight
376.485
Canonical SMILES
CC(C)(C(c1ccccc1)c1ccn2cncc2c1)C(=O)Nc1nccs1
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InChI
InChI=1S/C21H20N4OS/c1-21(2,19(26)24-20-23-9-11-27-20)18(15-6-4-3-5-7-15)16-8-10-25-14-22-13-17(25)12-16/h3-14,18H,1-2H3,(H,23,24,26)
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InChIKey
XHDKJGIOKHXSGM-UHFFFAOYSA-N
Physicochemical Property
logP
4.5876
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
59.29
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: 59419621
ChEMBL ID
CHEMBL2426155
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: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
EC50 = 1200 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 18 nM