COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL428637
Chemical Name: [(5E)-5-(3-methoxy-4-{2-[(3-nitrophenyl)amino]-2-oxoethoxy}benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]aceticacid
Smiles: COc1cc(ccc1OCC(=O)Nc1cccc(c1)[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)CC(=O)O

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Molecular Weight: 503.51
Empirical Formula: C21H17N3O8S2

Physical State: Dry powder
Available Amount: 153 mg

Lipinsky:
logP: 2.485
Rotatable bonds: 8
H-donors: 2
H-acceptors: 8
PSA: 208
Number of rings: 3

     

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