COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK509318
Chemical Name: 1-[6-(3-bromo-4,5-dihydroxyphenyl)-3-(hexylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CCCCCCSc1nnc2c(n1)OC(c1cc(O)c(c(c1)Br)O)N(c1c2cccc1)C(=O)C

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Molecular Weight: 545.46
Empirical Formula: C24H25BrN4O4S

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 6.241
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 133
Number of rings: 4

     

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