General Information of the Compound
Compound ID
CP0203101
Compound Name
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
    Show/Hide
Structure
Formula
C15H15FN4O2S
Molecular Weight
334.376
Canonical SMILES
Cc1nc(sc1C(N)=O)N1CCN(Cc2ccc(F)cc2)C1=O
    Show/Hide
InChI
InChI=1S/C15H15FN4O2S/c1-9-12(13(17)21)23-14(18-9)20-7-6-19(15(20)22)8-10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3,(H2,17,21)
    Show/Hide
InChIKey
QMQSPGPSUGTADW-UHFFFAOYSA-N
Physicochemical Property
logP
2.13172
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
79.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 58031443
ChEMBL ID
CHEMBL3104606
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: PT01587, Stearoyl-CoA desaturase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 55 nM
   TI
   LI
   LO
   TS