COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK465591
Chemical Name: 3-[(4-tert-butylphenoxy)methyl]-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(nnc1SCn1ncc(c1)[N+](=O)[O-])COc1ccc(cc1)C(C)(C)C

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Molecular Weight: 428.52
Empirical Formula: C20H24N6O3S

Physical State: Dry powder
Available Amount: 271 mg

Lipinsky:
logP: 5.196
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 128
Number of rings: 3

     

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