General Information of the Compound
Compound ID
CP0082084
Compound Name
9-Fluoro-2,2,4-trimethyl-2,10-dihydro-1H-indeno[1,2-g]quinoline
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Structure
Formula
C19H18FN
Molecular Weight
279.358
Canonical SMILES
CC1=CC(C)(C)Nc2cc3Cc4c(cccc4F)-c3cc12
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InChI
InChI=1S/C19H18FN/c1-11-10-19(2,3)21-18-8-12-7-16-13(5-4-6-17(16)20)15(12)9-14(11)18/h4-6,8-10,21H,7H2,1-3H3
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InChIKey
HABVEGMNVSOGOR-UHFFFAOYSA-N
Physicochemical Property
logP
5.0043
Rotatable Bonds
0
Heavy Atom Count
21
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
21

"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: 15458737
ChEMBL ID
CHEMBL93690
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 = 1772 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2.291 nM
2 Ki = 2.3 nM