COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL477670
Chemical Name: ethyl6-(5-{[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate
Smiles: CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nnc2c(n1)[nH]c1c2cc(cc1)Br

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Molecular Weight: 533.41
Empirical Formula: C21H21BrN6O4S

Physical State: Dry powder
Available Amount: 246 mg

Lipinsky:
logP: 5.166
Rotatable bonds: 11
H-donors: 3
H-acceptors: 4
PSA: 164
Number of rings: 4

     

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