General Information of the Compound
Compound ID
CP0436360
Compound Name
(R)-3-isopropyl-4-methyl-10-(trifluoromethyl)-3,4-dihydro-2H-[1,4]oxazino[2,3-f]quinolin-8(7H)-one
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Structure
Formula
C16H17F3N2O2
Molecular Weight
326.318
Canonical SMILES
CC(C)[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1C
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InChI
InChI=1S/C16H17F3N2O2/c1-8(2)12-7-23-15-11(21(12)3)5-4-10-14(15)9(16(17,18)19)6-13(22)20-10/h4-6,8,12H,7H2,1-3H3,(H,20,22)/t12-/m0/s1
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InChIKey
CYFYZYLEDYJELA-LBPRGKRZSA-N
Physicochemical Property
logP
3.4001
Rotatable Bonds
1
Heavy Atom Count
23
Polar Areas
45.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 44442966
ChEMBL ID
CHEMBL247813
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 = 276 nM
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   LI
   LO
   TS