General Information of the Compound
Compound ID
CP0298284
Compound Name
6,9-Difluoro-1,3,3-trimethyl-4,11-dihydro-3H-indeno[2,1-f]quinolin-11-ol
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Structure
Formula
C19H17F2NO
Molecular Weight
313.347
Canonical SMILES
CC1=CC(C)(C)Nc2cc(F)c3-c4ccc(F)cc4C(O)c3c12
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InChI
InChI=1S/C19H17F2NO/c1-9-8-19(2,3)22-14-7-13(21)16-11-5-4-10(20)6-12(11)18(23)17(16)15(9)14/h4-8,18,22-23H,1-3H3
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InChIKey
MEHLHXPCWYKMSK-UHFFFAOYSA-N
Physicochemical Property
logP
4.6343
Rotatable Bonds
0
Heavy Atom Count
23
Polar Areas
32.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 44325268
ChEMBL ID
CHEMBL92777
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 = 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2580 nM