COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK727458
Chemical Name: 3-{[(2E,5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoicacid
Smiles: COc1cc([N+](=O)[O-])c(cc1OC)/C=C/1\S/C(=N/c2cccc(c2)C(=O)O)/N(C1=O)C

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Molecular Weight: 443.44
Empirical Formula: C20H17N3O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.028
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 159
Number of rings: 3

     

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