General Information of the Compound
Compound ID
CP0464181
Compound Name
(R)-4-(cyclopropylmethyl)-3-phenyl-10-(trifluoromethyl)-3,4-dihydro-2H-[1,4]oxazino[2,3-f]quinolin-8(7H)-one
    Show/Hide
Structure
Formula
C22H19F3N2O2
Molecular Weight
400.4
Canonical SMILES
FC(F)(F)c1cc(=O)[nH]c2ccc3N(CC4CC4)[C@@H](COc3c12)c1ccccc1
    Show/Hide
InChI
InChI=1S/C22H19F3N2O2/c23-22(24,25)15-10-19(28)26-16-8-9-17-21(20(15)16)29-12-18(14-4-2-1-3-5-14)27(17)11-13-6-7-13/h1-5,8-10,13,18H,6-7,11-12H2,(H,26,28)/t18-/m0/s1
    Show/Hide
InChIKey
JMXLIPHCMSXPFF-SFHVURJKSA-N
Physicochemical Property
logP
4.897
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
45.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 44442975
ChEMBL ID
CHEMBL397563
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 = 45 nM
   TI
   LI
   LO
   TS