COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL169919
Chemical Name: 6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Smiles: CCOc1c(Br)cc(cc1OC)C1Nc2ccccc2c2c(O1)nc(SCC)nn2

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Molecular Weight: 489.39
Empirical Formula: C21H21BrN4O3S

Physical State: Dry powder
Available Amount: 28 mg

Lipinsky:
logP: 4.447
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 103
Number of rings: 4

     

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