COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455075
Chemical Name: (2E)-3-[1-(4-chlorobenzyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cn(nc1c1ccc(c(c1)OC)OC)Cc1ccc(cc1)Cl)/S(=O)(=O)c1ccccc1

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Molecular Weight: 520.01
Empirical Formula: C27H22ClN3O4S

Physical State: Dry powder
Available Amount: 254 mg

Lipinsky:
logP: 4.536
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 102
Number of rings: 4

     

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