General Information of the Compound
Compound ID
CP0246621
Compound Name
10-methoxy-2,2,4-trimethyl-5-(2-methylprop-2-enyl)-1,5-dihydrochromeno[3,4-f]quinoline
    Show/Hide
Structure
Formula
C24H27NO2
Molecular Weight
361.485
Canonical SMILES
COc1cccc2OC(CC(C)=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
    Show/Hide
InChI
InChI=1S/C24H27NO2/c1-14(2)12-20-23-16(22-18(26-6)8-7-9-19(22)27-20)10-11-17-21(23)15(3)13-24(4,5)25-17/h7-11,13,20,25H,1,12H2,2-6H3
    Show/Hide
InChIKey
FHLKKLFFTNPJKR-UHFFFAOYSA-N
Physicochemical Property
logP
6.3693
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
30.49
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 22314926
ChEMBL ID
CHEMBL48283
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
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  2
1
IC50 = 42 nM
   TI
   LI
   LO
   TS
2
IC50 = 66 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Activity = 3.1 nM