General Information of the Compound
Compound ID
CP0574616
Compound Name
2-(4-(2-methylpyridin-4-yl)phenyl)-N-(5-phenylpyridin-2-yl)acetamide
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Structure
Formula
C25H21N3O
Molecular Weight
379.463
Canonical SMILES
Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cn2)-c2ccccc2)cc1
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InChI
InChI=1S/C25H21N3O/c1-18-15-22(13-14-26-18)21-9-7-19(8-10-21)16-25(29)28-24-12-11-23(17-27-24)20-5-3-2-4-6-20/h2-15,17H,16H2,1H3,(H,27,28,29)
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InChIKey
NVXJJEZQQMBVPB-UHFFFAOYSA-N
Physicochemical Property
logP
5.30022
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
54.88
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: 46927726
SID: 99433503
ChEMBL ID
CHEMBL4531873
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
CL000633 TM3 Mus musculus (Mouse)  1
1
IC50 = 0.7 nM
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