COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL374466
Chemical Name: (2E,5Z)-2-[(4-ethoxyphenyl)imino]-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)-3-propyl-1,3-thiazolidin-4-one
Smiles: CCCN1/C(=N\c2ccc(cc2)OCC)/S/C(=C\c2cc(cc(c2O)OC)[N+](=O)[O-])/C1=O

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Molecular Weight: 457.51
Empirical Formula: C22H23N3O6S

Physical State: Dry powder
Available Amount: 1045 mg

Lipinsky:
logP: 6.202
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 142
Number of rings: 3

     

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