COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL575070
Chemical Name: 3-[(2Z)-2-[(2E)-(5-bromo-2-hydroxybenzylidene)hydrazinylidene]-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate
Smiles: Brc1ccc(c(c1)/C=N/N=c/1\sc2c(n1CCCS(=O)(=O)[O-])cccc2)O

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Saltdata: Na+
Molecular Weight: 469.36
Empirical Formula: C17H15BrN3O4S2

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 3.809
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 139
Number of rings: 3

     

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