COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980242
Chemical Name: 2-[7-acetyl-10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-chlorophenylacetate
Smiles: CCSc1nnc2c(n1)OC(N(c1c2cc(Br)cc1)C(=O)C)c1cc(Cl)ccc1OC(=O)C

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Molecular Weight: 549.83
Empirical Formula: C22H18BrClN4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.652
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 119
Number of rings: 4

     

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