COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL364849
Chemical Name: (2Z,5Z)-5-{3-bromo-4-[(3-nitrobenzyl)oxy]benzylidene}-2-[(4-methoxyphenyl)imino]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
Smiles: COc1ccc(cc1)/N=C/1\S/C(=C\c2ccc(c(c2)Br)OCc2cccc(c2)[N+](=O)[O-])/C(=O)N1CC(C)C

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Molecular Weight: 596.5
Empirical Formula: C28H26BrN3O5S

Physical State: Dry powder
Available Amount: 893 mg

Lipinsky:
logP: 7.636
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 122
Number of rings: 4

     

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