General Information of the Compound
Compound ID
CP0183440
Compound Name
5,8-Difluoro-2,2,4,10-tetramethyl-2,10-dihydro-1H-indeno[1,2-g]quinolin-10-ol
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Structure
Formula
C20H19F2NO
Molecular Weight
327.374
Canonical SMILES
CC1=CC(C)(C)Nc2cc3c(-c4ccc(F)cc4C3(C)O)c(F)c12
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InChI
InChI=1S/C20H19F2NO/c1-10-9-19(2,3)23-15-8-14-17(18(22)16(10)15)12-6-5-11(21)7-13(12)20(14,4)24/h5-9,23-24H,1-4H3
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InChIKey
UMKJOSHCVCLMKI-UHFFFAOYSA-N
Physicochemical Property
logP
4.8084
Rotatable Bonds
0
Heavy Atom Count
24
Polar Areas
32.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 44325294
ChEMBL ID
CHEMBL328669
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 > 10000 nM