COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL374531
Chemical Name: (2E,5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-ethyl-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one
Smiles: COc1ccc(cc1)/N=C\1/S/C(=C\c2cc(OC)c(cc2[N+](=O)[O-])OC)/C(=O)N1CC

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Molecular Weight: 443.48
Empirical Formula: C21H21N3O6S

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 4.641
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 131
Number of rings: 3

     

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