General Information of the Compound
Compound ID
CP0417190
Compound Name
(R)-3-ethyl-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
C16H14F6N2O2
Molecular Weight
380.288
Canonical SMILES
CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(F)(F)F
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InChI
InChI=1S/C16H14F6N2O2/c1-2-8-6-26-14-11(24(8)7-15(17,18)19)4-3-10-13(14)9(16(20,21)22)5-12(25)23-10/h3-5,8H,2,6-7H2,1H3,(H,23,25)/t8-/m1/s1
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InChIKey
FGMYUHULLBIYFO-MRVPVSSYSA-N
Physicochemical Property
logP
4.0866
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
45.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 24850992
SID: 50079960
ChEMBL ID
CHEMBL250897
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 = 1 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS