COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK326328
Chemical Name: 4-[10-bromo-3-(prop-2-en-1-ylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoicacid
Smiles: C=CCSc1nnc2c(n1)OC(Nc1c2cc(Br)cc1)c1ccc(cc1)C(=O)O

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Molecular Weight: 471.33
Empirical Formula: C20H15BrN4O3S

Physical State: Dry powder
Available Amount: 202 mg

Lipinsky:
logP: 4.626
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 122
Number of rings: 4

     

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