General Information of the Compound
Compound ID
CP0521198
Compound Name
N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]dibenzofuran-2-carboxamide
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Structure
Formula
C25H24N2O3
Molecular Weight
400.478
Canonical SMILES
O=C(Nc1ccc(OCCN2CCCC2)cc1)c1ccc2oc3ccccc3c2c1
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InChI
InChI=1S/C25H24N2O3/c28-25(18-7-12-24-22(17-18)21-5-1-2-6-23(21)30-24)26-19-8-10-20(11-9-19)29-16-15-27-13-3-4-14-27/h1-2,5-12,17H,3-4,13-16H2,(H,26,28)
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InChIKey
WNRIMBSROKHFCW-UHFFFAOYSA-N
Physicochemical Property
logP
5.3129
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
54.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 44416816
ChEMBL ID
CHEMBL214504
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: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 2511.89 nM
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