General Information of the Compound
Compound ID
CP0564766
Compound Name
2-(2-methyl-1,3-dioxoisoindol-4-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
    Show/Hide
Structure
Formula
C20H15N3O3S
Molecular Weight
377.425
Canonical SMILES
CN1C(=O)c2cccc(CC(=O)Nc3ccc(cc3)-c3nccs3)c2C1=O
    Show/Hide
InChI
InChI=1S/C20H15N3O3S/c1-23-19(25)15-4-2-3-13(17(15)20(23)26)11-16(24)22-14-7-5-12(6-8-14)18-21-9-10-27-18/h2-10H,11H2,1H3,(H,22,24)
    Show/Hide
InChIKey
GXNOOURWOJERGF-UHFFFAOYSA-N
Physicochemical Property
logP
3.2171
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
79.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 137635434
ChEMBL ID
CHEMBL4061069
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: PT04895, Protein-serine O-palmitoleoyltransferase porcupine
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 15 nM
   TI
   LI
   LO
   TS