COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041857
Chemical Name: N-[(2E)-5-{[(4-fluorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide
Smiles: Fc1ccc(cc1)CSCc1n[nH]/c(=N\C(=O)c2cccc(c2)[N+](=O)[O-])/s1

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Molecular Weight: 404.45
Empirical Formula: C17H13FN4O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.547
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 150
Number of rings: 3

     

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