General Information of the Compound
Compound ID
CP0483182
Compound Name
N-cyclopropyl-4-methoxy-7-methyl-1,3-benzothiazole-2-carboxamide
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Structure
Formula
C13H14N2O2S
Molecular Weight
262.334
Canonical SMILES
COc1ccc(C)c2sc(nc12)C(=O)NC1CC1
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InChI
InChI=1S/C13H14N2O2S/c1-7-3-6-9(17-2)10-11(7)18-13(15-10)12(16)14-8-4-5-8/h3,6,8H,4-5H2,1-2H3,(H,14,16)
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InChIKey
ZUAPGVCAWSOYMH-UHFFFAOYSA-N
Physicochemical Property
logP
2.50552
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
51.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 56592911
SID: 148138584
ChEMBL ID
CHEMBL2057683
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 = 7762.47 nM
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