COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK202394
Chemical Name: 1-(4-benzylpiperazin-1-yl)-2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: O=C(N1CCN(CC1)Cc1ccccc1)CSc1nnc(n1C)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 452.54
Empirical Formula: C22H24N6O3S

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 3.855
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 125
Number of rings: 4

     

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