General Information of the Compound
Compound ID
CP0442165
Compound Name
6-alkyl, 7-amino-2-quinolinone, 11a
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Structure
Formula
C11H9F3N2O
Molecular Weight
242.2
Canonical SMILES
Cc1cc2c(cc(=O)[nH]c2cc1N)C(F)(F)F
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InChI
InChI=1S/C11H9F3N2O/c1-5-2-6-7(11(12,13)14)3-10(17)16-9(6)4-8(5)15/h2-4H,15H2,1H3,(H,16,17)
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InChIKey
LOYHBAJWDJGLOK-UHFFFAOYSA-N
Physicochemical Property
logP
2.43752
Rotatable Bonds
0
Heavy Atom Count
17
Polar Areas
58.88
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 22279187
ChEMBL ID
CHEMBL3706896
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: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  2
1
IC50 = 76 nM
   TI
   LI
   LO
   TS
2
Ki = 30 nM
   TI
   LI
   LO
   TS