COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK153503
Chemical Name: (5E)-5-{[1-(4-bromo-3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Smiles: O=C1S/C(=C/c2cc(n(c2C)c2ccc(c(c2)Cl)Br)C)/C(=O)N1Cc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 546.83
Empirical Formula: C23H17BrClN3O4S

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 7.02
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 113
Number of rings: 4

     

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