COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK026460
Chemical Name: (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Smiles: O=C1S/C(=C/c2cc3OCOc3cc2Cl)/C(=O)N1Cc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 418.81
Empirical Formula: C18H11ClN2O6S

Physical State: Dry powder
Available Amount: 85 mg

Lipinsky:
logP: 4.594
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 126
Number of rings: 4

     

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