COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL368840
Chemical Name: (5Z)-3-(2-cyclopentylethyl)-5-(3-ethoxy-2-hydroxy-5-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCOc1cc(cc(c1O)/C=C/1\SC(=S)N(C1=O)CCC1CCCC1)[N+](=O)[O-]

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Molecular Weight: 422.53
Empirical Formula: C19H22N2O5S2

Physical State: Dry powder
Available Amount: 983 mg

Lipinsky:
logP: 5.303
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 152
Number of rings: 3

     

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