COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK465364
Chemical Name: 3-[(4-tert-butylphenoxy)methyl]-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Smiles: Cn1c(nnc1SCn1ncc(c1)[N+](=O)[O-])COc1ccc(cc1)C(C)(C)C

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Molecular Weight: 402.48
Empirical Formula: C18H22N6O3S

Physical State: Dry powder
Available Amount: 184 mg

Lipinsky:
logP: 4.344
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 128
Number of rings: 3

     

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