General Information of the Compound
Compound ID
CP0508577
Compound Name
[4-(2-methylpyridin-4-yl)phenyl] N-(4-pyridin-3-ylphenyl)carbamate
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Structure
Formula
C24H19N3O2
Molecular Weight
381.435
Canonical SMILES
Cc1cc(ccn1)-c1ccc(OC(=O)Nc2ccc(cc2)-c2cccnc2)cc1
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InChI
InChI=1S/C24H19N3O2/c1-17-15-20(12-14-26-17)18-6-10-23(11-7-18)29-24(28)27-22-8-4-19(5-9-22)21-3-2-13-25-16-21/h2-16H,1H3,(H,27,28)
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InChIKey
VNKYYEYCCNEXOK-UHFFFAOYSA-N
Physicochemical Property
logP
5.72992
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
64.11
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: 122192847
ChEMBL ID
CHEMBL3623874
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: PT04895, Protein-serine O-palmitoleoyltransferase porcupine
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000575 L Wnt-3A Mus musculus (Mouse)  1
1
IC50 = 2.2 nM
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