COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK794904
Chemical Name: (5E)-5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2cc(n(c2C)c2ccc(cc2)[N+](=O)[O-])C)/C(=O)N1

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Molecular Weight: 359.43
Empirical Formula: C16H13N3O3S2

Physical State: Dry powder
Available Amount: 270 mg

Lipinsky:
logP: 3.258
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 137
Number of rings: 3

     

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