General Information of the Compound
Compound ID
CP0391189
Compound Name
(R)-4-ethyl-3-methyl-10-(trifluoromethyl)-3,4-dihydro-2H-[1,4]oxazino[2,3-f]quinolin-8(7H)-one
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Structure
Formula
C15H15F3N2O2
Molecular Weight
312.291
Canonical SMILES
CCN1[C@H](C)COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F
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InChI
InChI=1S/C15H15F3N2O2/c1-3-20-8(2)7-22-14-11(20)5-4-10-13(14)9(15(16,17)18)6-12(21)19-10/h4-6,8H,3,7H2,1-2H3,(H,19,21)/t8-/m1/s1
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InChIKey
DVQYYMGJFMECJM-MRVPVSSYSA-N
Physicochemical Property
logP
3.1541
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
45.33
Hydrogen Bond Donor Count
1
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).

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PubChem ID
CID: 44442949
ChEMBL ID
CHEMBL250286
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
EC50 = 420 nM
   TI
   LI
   LO
   TS