COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455273
Chemical Name: (2E)-3-{2-[(4-bromobenzyl)oxy]-5-chlorophenyl}-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(cc1)Br)/S(=O)(=O)c1ccccc1

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Molecular Weight: 488.79
Empirical Formula: C22H15BrClNO3S

Physical State: Dry powder
Available Amount: 184 mg

Lipinsky:
logP: 6.113
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 75
Number of rings: 3

     

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