General Information of the Compound
Compound ID
CP0914666
Compound Name
10-(4-ethoxyphenyl)-7,8-dihydro-5H-indeno[1,2-b]quinoline-9,11(6H,10H)-dione
    Show/Hide
Structure
Formula
C24H21NO3
Molecular Weight
371.436
Canonical SMILES
CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1
    Show/Hide
InChI
InChI=1S/C24H21NO3/c1-2-28-15-12-10-14(11-13-15)20-21-18(8-5-9-19(21)26)25-23-16-6-3-4-7-17(16)24(27)22(20)23/h3-4,6-7,10-13,20,25H,2,5,8-9H2,1H3
    Show/Hide
InChIKey
SNRJMCFONYURHR-UHFFFAOYSA-N
Physicochemical Property
logP
4.3868
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
55.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 2913727
ChEMBL ID
CHEMBL4864992
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: PT06255, Probable G-protein coupled receptor 174
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 150 nM
   TI
   LI
   LO
   TS