General Information of the Compound
Compound ID
CP0058424
Compound Name
2,2,4-Trimethyl-2,10-dihydro-1H-indeno[1,2-g]quinoline
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Structure
Formula
C19H19N
Molecular Weight
261.368
Canonical SMILES
CC1=CC(C)(C)Nc2cc3Cc4ccccc4-c3cc12
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InChI
InChI=1S/C19H19N/c1-12-11-19(2,3)20-18-9-14-8-13-6-4-5-7-15(13)17(14)10-16(12)18/h4-7,9-11,20H,8H2,1-3H3
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InChIKey
UONIFIXPXUYMNR-UHFFFAOYSA-N
Physicochemical Property
logP
4.8652
Rotatable Bonds
0
Heavy Atom Count
20
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
20

"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: 23041743
ChEMBL ID
CHEMBL329198
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: PT01172, Progesterone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 220 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 14 nM
2 Ki = 14.13 nM