COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980259
Chemical Name: 1-{6-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Smiles: C=CCSc1nnc2c(n1)OC(c1cc(Br)c(c(c1)OC)OCc1ccccc1)N(c1c2cccc1)C(=O)CC

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Molecular Weight: 619.54
Empirical Formula: C30H27BrN4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.001
Rotatable bonds: 8
H-donors: 0
H-acceptors: 4
PSA: 111
Number of rings: 5

     

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