COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK147444
Chemical Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-{[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: Clc1ccc(cc1)N1CCN(CC1)C(=O)CSc1nnc(n1C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 472.96
Empirical Formula: C21H21ClN6O3S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 4.408
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 125
Number of rings: 4

     

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