General Information of the Compound
Compound ID
CP0394489
Compound Name
(R)-3-methyl-4-(2,2,2-trifluoroethyl)-10-(trifluoromethyl)-3,4-dihydro-2H-[1,4]oxazino[2,3-f]quinolin-8(7H)-one
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Structure
Formula
C15H12F6N2O2
Molecular Weight
366.261
Canonical SMILES
C[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(F)(F)F
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InChI
InChI=1S/C15H12F6N2O2/c1-7-5-25-13-10(23(7)6-14(16,17)18)3-2-9-12(13)8(15(19,20)21)4-11(24)22-9/h2-4,7H,5-6H2,1H3,(H,22,24)/t7-/m1/s1
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InChIKey
QVNNULSQYVPEID-SSDOTTSWSA-N
Physicochemical Property
logP
3.6965
Rotatable Bonds
1
Heavy Atom Count
25
Polar Areas
45.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 44442939
ChEMBL ID
CHEMBL395596
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 = 5.4 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS