COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL325371
Chemical Name: 3-[(3-methyl-4-nitro-1,1-dioxido-4,5-dihydrothiophen-2-yl)(phenyl)methyl]pentane-2,4-dione
Smiles: CC(=O)C(C(C1=C(C)C(CS1(=O)=O)[N+](=O)[O-])c1ccccc1)C(=O)C

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Molecular Weight: 365.41
Empirical Formula: C17H19NO6S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.247
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 122
Number of rings: 2

     

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