General Information of the Compound
Compound ID
CP0579874
Compound Name
N-(4-methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
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Structure
Formula
C19H21N3O3
Molecular Weight
339.395
Canonical SMILES
COc1ccc(NC(=O)C(=O)N2CCN(CC2)c2ccccc2)cc1
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InChI
InChI=1S/C19H21N3O3/c1-25-17-9-7-15(8-10-17)20-18(23)19(24)22-13-11-21(12-14-22)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,23)
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InChIKey
VVTHZXYDOJRTPR-UHFFFAOYSA-N
Physicochemical Property
logP
1.9825
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
61.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 44892039
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: PT03541, Excitatory amino acid transporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
EC50 = 3.8 nM
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