COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372072
Chemical Name: (5E)-5-{3-bromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-3-(4-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Smiles: O=C1S/C(=C/c2ccc(c(c2)Br)Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)/C(=O)N1Cc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 624.35
Empirical Formula: C24H13BrF3N3O7S

Physical State: Dry powder
Available Amount: 1178 mg

Lipinsky:
logP: 6.468
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 163
Number of rings: 4

     

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