COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK918107
Chemical Name: (2E)-3-{3-[(4-bromobenzyl)oxy]phenyl}-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile
Smiles: N#C/C(=C\c1cccc(c1)OCc1ccc(cc1)Br)/S(=O)(=O)c1ccc(cc1)Cl

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Molecular Weight: 488.79
Empirical Formula: C22H15BrClNO3S

Available Amount: 0 mg

Lipinsky:
logP: 6.244
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 75
Number of rings: 3

     

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