COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK815517
Chemical Name: (2E)-3-[3-(3-chloro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cn(nc1c1ccc(c(c1)Cl)OC)c1ccccc1)/S(=O)(=O)c1ccccc1

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Molecular Weight: 475.96
Empirical Formula: C25H18ClN3O3S

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 5.371
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 93
Number of rings: 4

     

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