COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK123114
Chemical Name: 3-{[(2E,5E)-3-ethyl-5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoicacid
Smiles: COc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=C\1/S/C(=N/c2cccc(c2)C(=O)O)/N(C1=O)CC

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N S N+ N O O- O O O OH O
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Molecular Weight: 493.5
Empirical Formula: C24H19N3O7S

Physical State: Dry powder
Available Amount: 387 mg

Lipinsky:
logP: 5.788
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 163
Number of rings: 4

     

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