COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK392735
Chemical Name: [(5E)-5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]aceticacid
Smiles: OC(=O)CN1C(=S)S/C(=C/c2cc(n(c2C)c2ccc(cc2)[N+](=O)[O-])C)/C1=O

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Molecular Weight: 417.47
Empirical Formula: C18H15N3O5S2

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 3.187
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 165
Number of rings: 3

     

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