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1243243-89-1 molecular structure
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2-[4-(2-methylpyridin-4-yl)phenyl]-N-[4-(pyridin-3-yl)phenyl]acetamide

ChemBase ID: 312995
Molecular Formular: C25H21N3O
Molecular Mass: 379.45374
Monoisotopic Mass: 379.16846231
SMILES and InChIs

SMILES:
n1c(cc(cc1)c1ccc(cc1)CC(=O)Nc1ccc(cc1)c1cccnc1)C
Canonical SMILES:
O=C(Nc1ccc(cc1)c1cccnc1)Cc1ccc(cc1)c1ccnc(c1)C
InChI:
InChI=1S/C25H21N3O/c1-18-15-22(12-14-27-18)20-6-4-19(5-7-20)16-25(29)28-24-10-8-21(9-11-24)23-3-2-13-26-17-23/h2-15,17H,16H2,1H3,(H,28,29)
InChIKey:
KHZOJCQBHJUJFY-UHFFFAOYSA-N

Cite this record

CBID:312995 http://www.chembase.cn/molecule-312995.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-(2-methylpyridin-4-yl)phenyl]-N-[4-(pyridin-3-yl)phenyl]acetamide
IUPAC Traditional name
2-[4-(2-methylpyridin-4-yl)phenyl]-N-[4-(pyridin-3-yl)phenyl]acetamide
Synonyms
Wnt-C59 (C59)
CAS Number
1243243-89-1

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Selleck Chemicals S7037 external link Add to cart
Data Source Data ID Price
Selleck Chemicals
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.856373  H Acceptors
H Donor LogD (pH = 5.5) 3.5375311 
LogD (pH = 7.4) 4.024913  Log P 4.035772 
Molar Refractivity 116.193 cm3 Polarizability 46.82237 Å3
Polar Surface Area 54.88 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
beta-catenin expand Show data source
Wnt expand Show data source
Salt Data
Free Base expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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