COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK520819
Chemical Name: 2-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromo-6-methoxyphenylacetate
Smiles: CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(Br)cc(c1OC(=O)C)OC

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Molecular Weight: 545.41
Empirical Formula: C23H21BrN4O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.378
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 129
Number of rings: 4

     

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