COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK157250
Chemical Name: (2E,5Z)-5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-[(3-bromophenyl)imino]-1,3-thiazolidin-4-one
Smiles: Brc1cccc(c1)/N=C\1/S/C(=C\c2cc(Br)c(c(c2)[N+](=O)[O-])O)/C(=O)N1

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Molecular Weight: 499.14
Empirical Formula: C16H9Br2N3O4S

Physical State: Dry powder
Available Amount: 158 mg

Lipinsky:
logP: 4.007
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 132
Number of rings: 3

     

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