COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK060826
Chemical Name: (2E)-4-{[4-(azepan-1-ylsulfonyl)phenyl]amino}-4-oxobut-2-enoicacid
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)/C=C/C(=O)O

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Molecular Weight: 352.41
Empirical Formula: C16H20N2O5S

Physical State: Dry powder
Available Amount: 543 mg

Lipinsky:
logP: 2.714
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 112
Number of rings: 2

     

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