COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK514686
Chemical Name: (5E)-5-{[3-(4-ethoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: OCCCN1C(=O)/C(=C/c2cn(nc2c2ccc(cc2C)OCC)c2ccccc2)/C(=C(C1=O)C#N)C

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Molecular Weight: 496.57
Empirical Formula: C29H28N4O4

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 4.713
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 108
Number of rings: 4

     

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