General Information of the Compound
Compound ID
CP0421963
Compound Name
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
C14H10F6N2O2
Molecular Weight
352.234
Canonical SMILES
FC(F)(F)CN1CCOc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F
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InChI
InChI=1S/C14H10F6N2O2/c15-13(16,17)6-22-3-4-24-12-9(22)2-1-8-11(12)7(14(18,19)20)5-10(23)21-8/h1-2,5H,3-4,6H2,(H,21,23)
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InChIKey
OLZPPPLUKQGVKJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.308
Rotatable Bonds
1
Heavy Atom Count
24
Polar Areas
45.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 10269417
SID: 15274283
ChEMBL ID
CHEMBL250496
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 = 190 nM
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