General Information of the Compound
Compound ID
CP0316819
Compound Name
6,8,8,10-Tetramethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
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Structure
Formula
C17H19F3N2O
Molecular Weight
324.346
Canonical SMILES
CC1CC(C)(C)Nc2c(C)c3[nH]c(=O)cc(c3cc12)C(F)(F)F
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InChI
InChI=1S/C17H19F3N2O/c1-8-7-16(3,4)22-15-9(2)14-11(5-10(8)15)12(17(18,19)20)6-13(23)21-14/h5-6,8,22H,7H2,1-4H3,(H,21,23)
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InChIKey
VMUAEYMUOWCJPI-UHFFFAOYSA-N
Physicochemical Property
logP
4.55302
Rotatable Bonds
0
Heavy Atom Count
23
Polar Areas
44.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 10711095
SID: 15746054
ChEMBL ID
CHEMBL347910
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)  1
1
IC50 = 22 nM
   TI
   LI
   LO
   TS
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
Ki = 85 nM
   TI
   LI
   LO
   TS
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 = 3726 nM
   TI
   LI
   LO
   TS