COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK245798
Chemical Name: 4-[({5-[(2,6-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]benzonitrile
Smiles: N#Cc1ccc(cc1)C(=O)CSc1nnc(n1C)COc1c(C)cccc1C

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Molecular Weight: 392.48
Empirical Formula: C21H20N4O2S

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 4.245
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 106
Number of rings: 3

     

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