COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK809348
Chemical Name: (2Z)-2-cyano-3-[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide
Smiles: COCCCNC(=O)/C(=C\c1cn(nc1c1ccc(c(c1)[N+](=O)[O-])OCC)c1ccccc1)/C#N

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Molecular Weight: 475.5
Empirical Formula: C25H25N5O5

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 3.127
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 134
Number of rings: 3

     

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