General Information of the Compound
Compound ID
CP0488997
Compound Name
1-(benzenesulfonyl)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
    Show/Hide
Formula
C18H14F4N2O4S
Molecular Weight
430.379
Canonical SMILES
CC1(C)N(C(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccccc1
    Show/Hide
InChI
InChI=1S/C18H14F4N2O4S/c1-17(2)15(25)23(11-8-9-14(19)13(10-11)18(20,21)22)16(26)24(17)29(27,28)12-6-4-3-5-7-12/h3-10H,1-2H3
    Show/Hide
InChIKey
TVMXTLKZLXAXSV-UHFFFAOYSA-N
Physicochemical Property
logP
3.7806
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
74.76
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
29

"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
ChEMBL ID
CHEMBL4748557
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
CL000521 LAPC-4 Homo sapiens (Human)  1
1
IC50 = 4300 nM
   TI
   LI
   LO
   TS