COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK279367
Chemical Name: 1-(azepan-1-yl)-2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: CCn1c(SCC(=O)N2CCCCCC2)nnc1c1ccc2c(c1)OCCO2

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Molecular Weight: 402.52
Empirical Formula: C20H26N4O3S

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 4.78
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 94
Number of rings: 4

     

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