General Information of the Compound
Compound ID
CP0563483
Compound Name
2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
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Structure
Formula
C20H20N4O5
Molecular Weight
396.403
Canonical SMILES
COc1ccc(cc1)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1
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InChI
InChI=1S/C20H20N4O5/c1-28-15-5-3-14(4-6-15)23-8-10-24(11-9-23)19(26)18(25)21-13-2-7-16-17(12-13)29-20(27)22-16/h2-7,12H,8-11H2,1H3,(H,21,25)(H,22,27)
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InChIKey
WXSVTYJVIMSXCL-UHFFFAOYSA-N
Physicochemical Property
logP
1.417
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
107.88
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 57606558
ChEMBL ID
CHEMBL4438058
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: PT06444, Glutamate receptor ionotropic, NMDA 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 199.53 nM
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