General Information of the Compound
Compound ID
CP0394220
Compound Name
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
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Structure
Formula
C19H17FN4O4
Molecular Weight
384.367
Canonical SMILES
Fc1ccc(cc1)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1
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InChI
InChI=1S/C19H17FN4O4/c20-12-1-4-14(5-2-12)23-7-9-24(10-8-23)18(26)17(25)21-13-3-6-15-16(11-13)28-19(27)22-15/h1-6,11H,7-10H2,(H,21,25)(H,22,27)
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InChIKey
QUEYDMMADATDON-UHFFFAOYSA-N
Physicochemical Property
logP
1.5475
Rotatable Bonds
2
Heavy Atom Count
28
Polar Areas
98.65
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 24809576
SID: 49756360
ChEMBL ID
CHEMBL4456965
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 = 125.89 nM
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