General Information of the Compound
Compound ID
CP0469783
Compound Name
[4-(2-methylpyridin-4-yl)phenyl] N-(4-phenylphenyl)carbamate
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Structure
Formula
C25H20N2O2
Molecular Weight
380.447
Canonical SMILES
Cc1cc(ccn1)-c1ccc(OC(=O)Nc2ccc(cc2)-c2ccccc2)cc1
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InChI
InChI=1S/C25H20N2O2/c1-18-17-22(15-16-26-18)21-9-13-24(14-10-21)29-25(28)27-23-11-7-20(8-12-23)19-5-3-2-4-6-19/h2-17H,1H3,(H,27,28)
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InChIKey
SKEASFKQXINEJD-UHFFFAOYSA-N
Physicochemical Property
logP
6.33492
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
51.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 122192846
ChEMBL ID
CHEMBL3623873
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 = 5 nM
   TI
   LI
   LO
   TS
Protein ID: PT04787, Protein-serine O-palmitoleoyltransferase porcupine
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000633 TM3 Mus musculus (Mouse)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS