General Information of the Compound
Compound ID
CP0383181
Compound Name
1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
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Structure
Formula
C15H19N3O2S
Molecular Weight
305.403
Canonical SMILES
COc1ccc(C)c2sc(NC(=O)NC3CCCC3)nc12
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InChI
InChI=1S/C15H19N3O2S/c1-9-7-8-11(20-2)12-13(9)21-15(17-12)18-14(19)16-10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H2,16,17,18,19)
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InChIKey
VMKACTCQIHEMKP-UHFFFAOYSA-N
Physicochemical Property
logP
3.67742
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
63.25
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 56592932
SID: 148138223
ChEMBL ID
CHEMBL2057406
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 = 7079.46 nM
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