General Information of the Compound
Compound ID
CP0405090
Compound Name
8,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-pyrido[3,2-g]quinolin-2-ylamine
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Structure
Formula
C15H16F3N3
Molecular Weight
295.308
Canonical SMILES
CC1(C)CCc2cc3c(cc(N)nc3cc2N1)C(F)(F)F
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InChI
InChI=1S/C15H16F3N3/c1-14(2)4-3-8-5-9-10(15(16,17)18)6-13(19)20-12(9)7-11(8)21-14/h5-7,21H,3-4H2,1-2H3,(H2,19,20)
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InChIKey
RHZRYZUXBBLGGR-UHFFFAOYSA-N
Physicochemical Property
logP
3.9725
Rotatable Bonds
0
Heavy Atom Count
21
Polar Areas
50.94
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 9948080
SID: 14922675
ChEMBL ID
CHEMBL133329
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 = 1159 nM
   TI
   LI
   LO
   TS
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS