COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK132905
Chemical Name: 3-[(3-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole
Smiles: Clc1cccc(c1)CSc1nnc(n1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 422.89
Empirical Formula: C21H15ClN4O2S

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 7.387
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 101
Number of rings: 4

     

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