General Information of the Compound
Compound ID
CP0219130
Compound Name
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide
    Show/Hide
Structure
Formula
C14H14N4O3S
Molecular Weight
318.358
Canonical SMILES
COc1nc(sc1C(N)=O)-c1ccnc(NC(=O)C2CC2)c1
    Show/Hide
InChI
InChI=1S/C14H14N4O3S/c1-21-13-10(11(15)19)22-14(18-13)8-4-5-16-9(6-8)17-12(20)7-2-3-7/h4-7H,2-3H2,1H3,(H2,15,19)(H,16,17,20)
    Show/Hide
InChIKey
CYADPSMQNARVII-UHFFFAOYSA-N
Physicochemical Property
logP
1.6611
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
107.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
22

"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: 73333976
ChEMBL ID
CHEMBL3410089
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: PT00962, Glycogen synthase kinase-3 beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 17.2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.1 nM