COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055088
Chemical Name: 2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C1CCCCC1)c1ccc(cc1)C)N/N=C(/c1cccc(c1)[N+](=O)[O-])\C

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Molecular Weight: 492.6
Empirical Formula: C25H28N6O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.447
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 143
Number of rings: 4

     

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