COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK362102
Chemical Name: 2-[(1E)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]-4-bromophenyl4-methylbenzenesulfonate
Smiles: N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc(cc1)C)/C(=O)N

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Molecular Weight: 421.27
Empirical Formula: C17H13BrN2O4S

Physical State: Dry powder
Available Amount: 82 mg

Lipinsky:
logP: 3.375
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 118
Number of rings: 2

     

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