General Information of the Compound
Compound ID
CP0309668
Compound Name
(7S)-6,7-dimethyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
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Structure
Formula
C15H15F3N2O
Molecular Weight
296.292
Canonical SMILES
C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1C)C(F)(F)F
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InChI
InChI=1S/C15H15F3N2O/c1-7-6-19-12-5-13-10(3-9(12)8(7)2)11(15(16,17)18)4-14(21)20-13/h3-5,7-8,19H,6H2,1-2H3,(H,20,21)/t7-,8?/m1/s1
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InChIKey
GRGCFVNQPFBNIA-GVHYBUMESA-N
Physicochemical Property
logP
3.712
Rotatable Bonds
0
Heavy Atom Count
21
Polar Areas
44.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 44276581
ChEMBL ID
CHEMBL282204
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
EC50 = 22 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 8 nM