General Information of the Compound
Compound ID
CP0506528
Compound Name
N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]dibenzofuran-2-carboxamide
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Structure
Formula
C27H30N2O3
Molecular Weight
430.548
Canonical SMILES
CC(C)N(CCOc1ccc(NC(=O)c2ccc3oc4ccccc4c3c2)cc1)C(C)C
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InChI
InChI=1S/C27H30N2O3/c1-18(2)29(19(3)4)15-16-31-22-12-10-21(11-13-22)28-27(30)20-9-14-26-24(17-20)23-7-5-6-8-25(23)32-26/h5-14,17-19H,15-16H2,1-4H3,(H,28,30)
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InChIKey
BOANDWPXXZLMFL-UHFFFAOYSA-N
Physicochemical Property
logP
6.3359
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
54.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
32

"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: 44416817
ChEMBL ID
CHEMBL441696
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 = 1995.26 nM
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