COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK509088
Chemical Name: 4-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl4-bromobenzoate
Smiles: CSc1nnc2c(n1)OC(c1ccc(cc1)OC(=O)c1ccc(cc1)Br)N(c1c2cccc1)C(=O)C

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Molecular Weight: 563.43
Empirical Formula: C26H19BrN4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.87
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 119
Number of rings: 5

     

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