COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK759123
Chemical Name: 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3,5-dinitropyridine
Smiles: [O-][N+](=O)c1cc(cnc1Sc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)[N+](=O)[O-]

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Molecular Weight: 476.52
Empirical Formula: C23H20N6O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.728
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 160
Number of rings: 4

     

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