COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK153627
Chemical Name: (2E,5Z)-2-[(3,5-dimethylphenyl)imino]-5-(4-hydroxy-3-iodo-5-nitrobenzylidene)-1,3-thiazolidin-4-one
Smiles: Cc1cc(/N=C\2/S/C(=C\c3cc(I)c(c(c3)[N+](=O)[O-])O)/C(=O)N2)cc(c1)C

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Molecular Weight: 495.3
Empirical Formula: C18H14IN3O4S

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 4.31
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 132
Number of rings: 3

     

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