General Information of the Compound
Compound ID
CP0558214
Compound Name
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,5-dimethylphenanthridin-6-one
    Show/Hide
Structure
Formula
C18H13F6NO2
Molecular Weight
389.295
Canonical SMILES
Cc1cc(cc2c1n(C)c(=O)c1ccccc21)C(O)(C(F)(F)F)C(F)(F)F
    Show/Hide
InChI
InChI=1S/C18H13F6NO2/c1-9-7-10(16(27,17(19,20)21)18(22,23)24)8-13-11-5-3-4-6-12(11)15(26)25(2)14(9)13/h3-8,27H,1-2H3
    Show/Hide
InChIKey
QZBGXCHJDCAVTK-UHFFFAOYSA-N
Physicochemical Property
logP
4.31232
Rotatable Bonds
1
Heavy Atom Count
27
Polar Areas
42.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 145955230
ChEMBL ID
CHEMBL4167377
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: PT01172, Progesterone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000078 T-47D Homo sapiens (Human)  1
1
IC50 = 180 nM
   TI
   LI
   LO
   TS