COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053127
Chemical Name: 3,3-dimethyl-1-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)butan-2-one
Smiles: C=CCn1c(nnc1SCC(=O)C(C)(C)C)COc1ccc(cc1)C

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Molecular Weight: 359.49
Empirical Formula: C19H25N3O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.598
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 82
Number of rings: 2

     

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