General Information of the Compound
Compound ID
CP0555807
Compound Name
N-(dibenzofuran-3-ylmethyl)-4-pyrazin-2-ylbenzamide
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Structure
Formula
C24H17N3O2
Molecular Weight
379.419
Canonical SMILES
O=C(NCc1ccc2c(c1)oc1ccccc21)c1ccc(cc1)-c1cnccn1
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InChI
InChI=1S/C24H17N3O2/c28-24(18-8-6-17(7-9-18)21-15-25-11-12-26-21)27-14-16-5-10-20-19-3-1-2-4-22(19)29-23(20)13-16/h1-13,15H,14H2,(H,27,28)
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InChIKey
VYCNSPHXPXIAHF-UHFFFAOYSA-N
Physicochemical Property
logP
4.973
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
68.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 134156571
ChEMBL ID
CHEMBL3983462
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: PT04787, Protein-serine O-palmitoleoyltransferase porcupine
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 701 nM
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