COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK539838
Chemical Name: 2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]acetohydrazide
Smiles: COc1cc(cc(c1O)/C=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)Br)[N+](=O)[O-]

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Molecular Weight: 521.35
Empirical Formula: C19H17BrN6O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.265
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 172
Number of rings: 3

     

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