General Information of the Compound
Compound ID
CP0372007
Compound Name
3-(4-(cyclohexylmethoxy)benzyl)-1,3-oxazinan-2-one
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Structure
Formula
C18H25NO3
Molecular Weight
303.402
Canonical SMILES
O=C1OCCCN1Cc1ccc(OCC2CCCCC2)cc1
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InChI
InChI=1S/C18H25NO3/c20-18-19(11-4-12-21-18)13-15-7-9-17(10-8-15)22-14-16-5-2-1-3-6-16/h7-10,16H,1-6,11-14H2
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InChIKey
HTINJLILPKQVAL-UHFFFAOYSA-N
Physicochemical Property
logP
3.988
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
38.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 25173448
SID: 57279384
ChEMBL ID
CHEMBL483754
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: PT01748, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 117 nM
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