COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK119837
Chemical Name: 2-{[4-benzyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
Smiles: Clc1cccc(c1)N1CCN(CC1)C(=O)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 549.05
Empirical Formula: C27H25ClN6O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.409
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 125
Number of rings: 5

     

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