COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL445110
Chemical Name: 6-(3-bromo-4-methoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Smiles: CCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(c(c1)Br)OC

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Molecular Weight: 459.37
Empirical Formula: C20H19BrN4O2S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 4.505
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 94
Number of rings: 4

     

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