COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK514846
Chemical Name: (5Z)-5-{[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-1-ethyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: CCN1C(=O)/C(=C\c2cn(nc2c2cc(C)c3c(c2)CC(O3)C)c2ccccc2)/C(=C(C1=O)C#N)C

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Molecular Weight: 478.55
Empirical Formula: C29H26N4O3

Physical State: Dry powder
Available Amount: 406 mg

Lipinsky:
logP: 5.835
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 88
Number of rings: 5

     

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