COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521159
Chemical Name: 2-bromo-4-chloro-6-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenylpropanoate
Smiles: CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1cc(Cl)cc(c1OC(=O)CC)Br

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Molecular Weight: 563.86
Empirical Formula: C23H20BrClN4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.007
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 119
Number of rings: 4

     

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