COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL375366
Chemical Name: 2-{[5-benzyl-4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,6-dimethylpiperidin-1-yl)ethanone
Smiles: CC1CCCC(N1C(=O)CSc1nnc(n1c1ccc(c(c1)C)C)Cc1ccccc1)C

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Molecular Weight: 448.63
Empirical Formula: C26H32N4OS

Physical State: Dry powder
Available Amount: 488 mg

Lipinsky:
logP: 7.199
Rotatable bonds: 4
H-donors: 0
H-acceptors: 1
PSA: 76
Number of rings: 4

     

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