COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK514850
Chemical Name: (5Z)-1-butyl-5-{[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: CCCCN1C(=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: 506.6
Empirical Formula: C31H30N4O3

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 6.897
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 88
Number of rings: 5

     

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