COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL145827
Chemical Name: 3-(azepan-1-ylmethyl)-6-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Cc1ccc(c(c1)OCc1nn2c(s1)nnc2CN1CCCCCC1)C(C)C

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Molecular Weight: 399.56
Empirical Formula: C21H29N5OS

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 5.751
Rotatable bonds: 5
H-donors: 0
H-acceptors: 1
PSA: 83
Number of rings: 4

     

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