COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK671877
Chemical Name: (2E,5E)-2-[(2E)-(4-chloro-3-nitrobenzylidene)hydrazinylidene]-5-(3,5-dibromo-2,4-dihydroxybenzylidene)-1,3-thiazolidin-4-one
Smiles: O=C1N/C(=N\N=C\c2ccc(c(c2)[N+](=O)[O-])Cl)/S/C/1=C/c1cc(Br)c(c(c1O)Br)O

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Molecular Weight: 576.61
Empirical Formula: C17H9Br2ClN4O5S

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 7.477
Rotatable bonds: 4
H-donors: 3
H-acceptors: 5
PSA: 165
Number of rings: 3

     

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