COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980305
Chemical Name: 1-[6-(1,3-benzodioxol-5-yl)-10-bromo-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CCSc1nnc2c(n1)OC(c1ccc3c(c1)OCO3)N(c1c2cc(Br)cc1)C(=O)C

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Molecular Weight: 501.36
Empirical Formula: C21H17BrN4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.722
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 111
Number of rings: 5

     

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