COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521210
Chemical Name: 2-bromo-4-chloro-6-[3-(ethylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenylpropanoate
Smiles: CCSc1nnc2c(n1)OC(c1cc(Cl)cc(c1OC(=O)CC)Br)N(c1c2cccc1)C(=O)CC

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Molecular Weight: 577.89
Empirical Formula: C24H22BrClN4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.538
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 119
Number of rings: 4

     

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