General Information of the Compound
Compound ID
CP0461130
Compound Name
(R)-3-propyl-10-(trifluoromethyl)-3,4-dihydro-2H-[1,4]oxazino[2,3-f]quinolin-8(7H)-one
    Show/Hide
Structure
Formula
C15H15F3N2O2
Molecular Weight
312.291
Canonical SMILES
CCC[C@@H]1COc2c(N1)ccc1[nH]c(=O)cc(c21)C(F)(F)F
    Show/Hide
InChI
InChI=1S/C15H15F3N2O2/c1-2-3-8-7-22-14-11(19-8)5-4-10-13(14)9(15(16,17)18)6-12(21)20-10/h4-6,8,19H,2-3,7H2,1H3,(H,20,21)/t8-/m1/s1
    Show/Hide
InChIKey
KUHWWIZEDYSYQX-MRVPVSSYSA-N
Physicochemical Property
logP
3.5199
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
54.12
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44442947
ChEMBL ID
CHEMBL250084
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 > 10000 nM
   TI
   LI
   LO
   TS
2
IC50 = 113 nM
   TI
   LI
   LO
   TS