General Information of the Compound
Compound ID
CP0442164
Compound Name
6-alkyl, 7-alkylamino-2-quinolinone, 11g
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Structure
Formula
C13H13F3N2O
Molecular Weight
270.254
Canonical SMILES
CCc1cc2c(cc(=O)[nH]c2cc1NC)C(F)(F)F
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InChI
InChI=1S/C13H13F3N2O/c1-3-7-4-8-9(13(14,15)16)5-12(19)18-11(8)6-10(7)17-2/h4-6,17H,3H2,1-2H3,(H,18,19)
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InChIKey
HEUJRMIWVSOJBK-UHFFFAOYSA-N
Physicochemical Property
logP
3.151
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
44.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 22278998
ChEMBL ID
CHEMBL3706902
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 = 504 nM
   TI
   LI
   LO
   TS
2
Ki = 869 nM
   TI
   LI
   LO
   TS