COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK379037
Chemical Name: 4-[(1E)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]-2-methoxyphenyl4-nitrobenzenesulfonate
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])/C(=O)N

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Molecular Weight: 403.37
Empirical Formula: C17H13N3O7S

Physical State: Dry powder
Available Amount: 72 mg

Lipinsky:
logP: 1.671
Rotatable bonds: 5
H-donors: 2
H-acceptors: 7
PSA: 173
Number of rings: 2

     

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