General Information of the Compound
Compound ID
CP0414621
Compound Name
4-amino-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one
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Structure
Formula
C13H11N3OS
Molecular Weight
257.318
Canonical SMILES
Cn1c2ccc(cc2c(N)cc1=O)-c1cncs1
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InChI
InChI=1S/C13H11N3OS/c1-16-11-3-2-8(12-6-15-7-18-12)4-9(11)10(14)5-13(16)17/h2-7H,14H2,1H3
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InChIKey
ZSSLQHTYYXEMJM-UHFFFAOYSA-N
Physicochemical Property
logP
2.2442
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
60.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 118736863
ChEMBL ID
CHEMBL3426041
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: PT03554, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001013 CHO CGE Cricetulus griseus (Chinese hamster)  1
1
IC50 = 163 nM
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