COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK392132
Chemical Name: 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
Smiles: Clc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 535.03
Empirical Formula: C26H23ClN6O3S

Physical State: Dry powder
Available Amount: 198 mg

Lipinsky:
logP: 7.12
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 125
Number of rings: 5

     

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