General Information of the Compound
Compound ID
CP0071822
Compound Name
4-(2-amino-1,3-benzothiazol-6-yl)-1-(cyclopropylmethyl)pyridin-2-one
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Structure
Formula
C16H15N3OS
Molecular Weight
297.383
Canonical SMILES
Nc1nc2ccc(cc2s1)-c1ccn(CC2CC2)c(=O)c1
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InChI
InChI=1S/C16H15N3OS/c17-16-18-13-4-3-11(7-14(13)21-16)12-5-6-19(15(20)8-12)9-10-1-2-10/h3-8,10H,1-2,9H2,(H2,17,18)
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InChIKey
RWQUSQUPWBEBAN-UHFFFAOYSA-N
Physicochemical Property
logP
3.1172
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
60.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
21

"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).

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PubChem ID
CID: 78319187
ChEMBL ID
CHEMBL3600779
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: PT01034, Phosphatidylinositol 4-kinase beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1584.89 nM
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