COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045326
Chemical Name: 4-[(1Z)-1-{2-[(1,3-benzothiazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene}ethyl]-2-methoxyphenolate
Smiles: COc1cc(ccc1[O-])/C(=N\NC(=O)CSc1sc2c([nH+]1)cccc2)/C

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Molecular Weight: 387.48
Empirical Formula: C18H17N3O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.841
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 141
Number of rings: 3

     

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