COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL341791
Chemical Name: 2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(4-nitrophenyl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)[N+](=O)[O-])N/N=C(/c1ccc(cc1)[N+](=O)[O-])\C

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Molecular Weight: 455.45
Empirical Formula: C19H17N7O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.888
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 189
Number of rings: 3

     

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