COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK445252
Chemical Name: (2E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc2OCOc2cc1Br)/S(=O)(=O)c1ccccc1

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Molecular Weight: 392.23
Empirical Formula: C16H10BrNO4S

Physical State: Dry powder
Available Amount: 442 mg

Lipinsky:
logP: 4.011
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 84
Number of rings: 3

     

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