General Information of the Compound
Compound ID
CP0710320
Compound Name
6-(Imidazo[1,2-a]pyrazin-5-yl)-2,2,4,4-tetramethyl-2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-3-one
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Structure
Formula
C22H24N4O
Molecular Weight
360.461
Canonical SMILES
CC1(C)Nc2c(cc(-c3cncc4nccn34)c3c2CCC3)C(C)(C)C1=O
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InChI
InChI=1S/C22H24N4O/c1-21(2)16-10-15(17-11-23-12-18-24-8-9-26(17)18)13-6-5-7-14(13)19(16)25-22(3,4)20(21)27/h8-12,25H,5-7H2,1-4H3
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InChIKey
JUFCLSXJMQEBLB-UHFFFAOYSA-N
Physicochemical Property
logP
3.9358
Rotatable Bonds
1
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: 59233347
ChEMBL ID
CHEMBL3582121
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 93 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 46 nM