COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK702014
Chemical Name: (2E)-2-cyano-3-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide
Smiles: COCCCNC(=O)/C(=C/c1cn(nc1c1ccc(c(c1)C)OCC)c1ccccc1)/C#N

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Molecular Weight: 444.53
Empirical Formula: C26H28N4O3

Physical State: Dry powder
Available Amount: 509 mg

Lipinsky:
logP: 4.19
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 89
Number of rings: 3

     

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