General Information of the Compound
Compound ID
CP0296445
Compound Name
3-[3-(3-Chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl]benzenesulfonamide
    Show/Hide
Structure
Formula
C18H15ClN4O3S2
Molecular Weight
434.93
Canonical SMILES
CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1)c1cccc(c1)S(N)(=O)=O
    Show/Hide
InChI
InChI=1S/C18H15ClN4O3S2/c1-18(2)16(24)22(12-7-6-11(10-20)15(19)9-12)17(27)23(18)13-4-3-5-14(8-13)28(21,25)26/h3-9H,1-2H3,(H2,21,25,26)
    Show/Hide
InChIKey
TYWODBAOGMISNZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.77578
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
107.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 11633474
SID: 16736640
ChEMBL ID
CHEMBL1289887
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
CL000141 LNCaP Homo sapiens (Human)  1
1
IC50 = 100 nM
   TI
   LI
   LO
   TS
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 400 nM
   TI
   LI
   LO
   TS