COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK029213
Chemical Name: 2-[(E)-{[4-(azepan-1-ylsulfonyl)phenyl]imino}methyl]-4-nitrophenol
Smiles: Oc1ccc(cc1/C=N/c1ccc(cc1)S(=O)(=O)N1CCCCCC1)[N+](=O)[O-]

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Molecular Weight: 403.46
Empirical Formula: C19H21N3O5S

Physical State: Dry powder
Available Amount: 248 mg

Lipinsky:
logP: 4.522
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 124
Number of rings: 3

     

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