COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK596435
Chemical Name: (5E)-1,4-dimethyl-5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C\c2cn(nc2c2ccc3c(c2)CC(O3)C)c2ccccc2)/C(=O)N(C1=O)C

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Molecular Weight: 450.5
Empirical Formula: C27H22N4O3

Physical State: Dry powder
Available Amount: 404 mg

Lipinsky:
logP: 4.843
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 88
Number of rings: 5

     

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