COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK121951
Chemical Name: 3-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole
Smiles: Cn1c(nnc1c1ccc(cc1)[N+](=O)[O-])SCc1c(C)cc(cc1C)C(C)(C)C

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Molecular Weight: 410.54
Empirical Formula: C22H26N4O2S

Physical State: Dry powder
Available Amount: 87 mg

Lipinsky:
logP: 7.211
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 101
Number of rings: 3

     

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