COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL406035
Chemical Name: 2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1-methyl-1H-indol-3-yl)ethanone
Smiles: Cn1c(SCC(=O)c2cn(c3c2cccc3)C)nnc1c1ccc2c(c1)OCCCO2

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Molecular Weight: 434.52
Empirical Formula: C23H22N4O3S

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 4.804
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 96
Number of rings: 5

     

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