COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK445303
Chemical Name: (2E)-3-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)Cn1nc(c(c1C)Br)C)OC)/S(=O)(=O)c1ccccc1

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Molecular Weight: 486.39
Empirical Formula: C22H20BrN3O3S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 4.535
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 93
Number of rings: 3

     

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