COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK982721
Chemical Name: (2Z)-3-[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
Smiles: COCCCNC(=O)/C(=C\c1cn(nc1c1ccc(c(c1)Cl)OCC)c1ccccc1)/C#N

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Molecular Weight: 464.95
Empirical Formula: C25H25ClN4O3

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 4.246
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 89
Number of rings: 3

     

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