COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK112194
Chemical Name: 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,6-dimethylpiperidin-1-yl)ethanone
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)N2C(C)CCCC2C)nnc1c1ccc(cc1)Cl

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Molecular Weight: 485.05
Empirical Formula: C25H29ClN4O2S

Physical State: Dry powder
Available Amount: 108 mg

Lipinsky:
logP: 7.903
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 85
Number of rings: 4

     

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