General Information of the Compound
Compound ID
CP0442169
Compound Name
6-alkyl, 7-alkylamino-2-quinolinone, 11e
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Structure
Formula
C14H15F3N2O
Molecular Weight
284.281
Canonical SMILES
CCCNc1cc2[nH]c(=O)cc(c2cc1C)C(F)(F)F
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InChI
InChI=1S/C14H15F3N2O/c1-3-4-18-11-7-12-9(5-8(11)2)10(14(15,16)17)6-13(20)19-12/h5-7,18H,3-4H2,1-2H3,(H,19,20)
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InChIKey
XLXZGQVKUMULTF-UHFFFAOYSA-N
Physicochemical Property
logP
3.67722
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
44.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 22279277
ChEMBL ID
CHEMBL3706900
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 = 674 nM
   TI
   LI
   LO
   TS
2
Ki = 641 nM
   TI
   LI
   LO
   TS