COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK120933
Chemical Name: 1-(4-nitrophenyl)-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nnc(n1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 461.46
Empirical Formula: C22H15N5O5S

Physical State: Dry powder
Available Amount: 36 mg

Lipinsky:
logP: 6.248
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 164
Number of rings: 4

     

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