General Information of the Compound
Compound ID
CP0383179
Compound Name
2-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
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Structure
Formula
C12H14N2O3S
Molecular Weight
266.322
Canonical SMILES
COCC(=O)Nc1nc2c(OC)ccc(C)c2s1
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InChI
InChI=1S/C12H14N2O3S/c1-7-4-5-8(17-3)10-11(7)18-12(14-10)13-9(15)6-16-2/h4-5H,6H2,1-3H3,(H,13,14,15)
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InChIKey
OCAYVIOFPCISBC-UHFFFAOYSA-N
Physicochemical Property
logP
2.19822
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
60.45
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: 56592902
SID: 148137688
ChEMBL ID
CHEMBL2057381
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: PT01156, Muscarinic acetylcholine receptor M4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
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