General Information of the Compound
Compound ID
CP0565946
Compound Name
N-(5-chloro-2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
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Structure
Formula
C13H11ClN2O3
Molecular Weight
278.695
Canonical SMILES
Oc1ccc(Cl)cc1NC(=O)c1noc2CCCc12
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InChI
InChI=1S/C13H11ClN2O3/c14-7-4-5-10(17)9(6-7)15-13(18)12-8-2-1-3-11(8)19-16-12/h4-6,17H,1-3H2,(H,15,18)
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InChIKey
WUOPUOJVNJIUCT-UHFFFAOYSA-N
Physicochemical Property
logP
2.7746
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
75.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 5075956
ChEMBL ID
CHEMBL2349527
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 373 nM
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