General Information of the Compound
Compound ID
CP0551253
Compound Name
N-dibenzofuran-2-yl-2-[4-(8-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
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Structure
Formula
C28H27N3O5
Molecular Weight
485.54
Canonical SMILES
COc1cccc2COC(=O)N(C3CCN(CC(=O)Nc4ccc5oc6ccccc6c5c4)CC3)c12
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InChI
InChI=1S/C28H27N3O5/c1-34-25-8-4-5-18-17-35-28(33)31(27(18)25)20-11-13-30(14-12-20)16-26(32)29-19-9-10-24-22(15-19)21-6-2-3-7-23(21)36-24/h2-10,15,20H,11-14,16-17H2,1H3,(H,29,32)
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InChIKey
FONJRDNACJFLRG-UHFFFAOYSA-N
Physicochemical Property
logP
5.1543
Rotatable Bonds
5
Heavy Atom Count
36
Polar Areas
84.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
36

"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: 10254802
SID: 15258182
ChEMBL ID
CHEMBL365777
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: PT01653, Neuropeptide Y receptor type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000049 C6 Rattus norvegicus (Rat)  1
1
IC50 = 55.7 nM
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