COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL036840
Chemical Name: 3-hydroxy-4-{(E)-[2-({[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Smiles: O=C(CSc1[nH+]nc(n1C)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccc(cc1O)[O-]

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Molecular Weight: 428.43
Empirical Formula: C18H16N6O5S

Physical State: Dry powder
Available Amount: 260 mg

Lipinsky:
logP: 4.523
Rotatable bonds: 7
H-donors: 3
H-acceptors: 5
PSA: 187
Number of rings: 3

     

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