General Information of the Compound
Compound ID
CP0442685
Compound Name
8-Fluoro-2,2,4-trimethyl-6-trifluoromethyl-1,2-dihydro-pyrido[3,2-g]quinoline
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Structure
Formula
C16H14F4N2
Molecular Weight
310.294
Canonical SMILES
CC1=CC(C)(C)Nc2cc3nc(F)cc(c3cc12)C(F)(F)F
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InChI
InChI=1S/C16H14F4N2/c1-8-7-15(2,3)22-13-6-12-10(4-9(8)13)11(16(18,19)20)5-14(17)21-12/h4-7,22H,1-3H3
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InChIKey
UWXIYYHMMMRWDB-UHFFFAOYSA-N
Physicochemical Property
logP
5.0001
Rotatable Bonds
0
Heavy Atom Count
22
Polar Areas
24.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 9904758
SID: 14874219
ChEMBL ID
CHEMBL132803
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 = 31 nM
   TI
   LI
   LO
   TS
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
Ki = 57 nM
   TI
   LI
   LO
   TS