COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044875
Chemical Name: 2-[(E)-{2-[(1H-3,1-benzimidazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-4-bromophenolate
Smiles: O=C(CSc1[nH]c2c([nH+]1)cccc2)N/N=C/c1cc(Br)ccc1[O-]

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Molecular Weight: 405.27
Empirical Formula: C16H13BrN4O2S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 5.664
Rotatable bonds: 5
H-donors: 3
H-acceptors: 2
PSA: 119
Number of rings: 3

     

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