General Information of the Compound
Compound ID
CP0384560
Compound Name
N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
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Structure
Formula
C16H19N3O3
Molecular Weight
301.346
Canonical SMILES
CN1CCN(CC1)C(=O)c1oc2ccccc2c1NC(C)=O
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InChI
InChI=1S/C16H19N3O3/c1-11(20)17-14-12-5-3-4-6-13(12)22-15(14)16(21)19-9-7-18(2)8-10-19/h3-6H,7-10H2,1-2H3,(H,17,20)
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InChIKey
WNZRODVKHYJKCD-UHFFFAOYSA-N
Physicochemical Property
logP
1.7788
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
65.79
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 20926111
ChEMBL ID
CHEMBL575603
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: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 5294 nM
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