COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK731370
Chemical Name: ethyl(2Z)-2-cyano-3-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]prop-2-enoate
Smiles: CCOC(=O)/C(=C\c1cn(nc1c1ccccc1)Cc1c(Cl)cccc1Cl)/C#N

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Molecular Weight: 426.3
Empirical Formula: C22H17Cl2N3O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.031
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 67
Number of rings: 3

     

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