COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148904
Chemical Name: {2-[(E)-{2-[(1,3-benzothiazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]phenoxy}acetate
Smiles: O=C(CSc1sc2c([nH+]1)cccc2)N/N=C/c1ccccc1OCC(=O)[O-]

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Molecular Weight: 401.47
Empirical Formula: C18H15N3O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.934
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 158
Number of rings: 3

     

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