General Information of the Compound
Compound ID
CP0267930
Compound Name
6,9-Difluoro-1,3,3-trimethyl-4,11-dihydro-3H-indeno[2,1-f]quinoline
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Structure
Formula
C19H17F2N
Molecular Weight
297.348
Canonical SMILES
CC1=CC(C)(C)Nc2cc(F)c-3c(Cc4cc(F)ccc-34)c12
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InChI
InChI=1S/C19H17F2N/c1-10-9-19(2,3)22-16-8-15(21)18-13-5-4-12(20)6-11(13)7-14(18)17(10)16/h4-6,8-9,22H,7H2,1-3H3
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InChIKey
YQCQOEFFZHSJQQ-UHFFFAOYSA-N
Physicochemical Property
logP
5.1434
Rotatable Bonds
0
Heavy Atom Count
22
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
22

"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: 44325326
ChEMBL ID
CHEMBL431280
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 = 5685 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 20.89 nM
2 Ki = 20.9 nM