COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK509272
Chemical Name: 1-[6-(2-chloro-4,5-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: COc1cc(c(cc1OC)Cl)C1Oc2nc(SC)nnc2c2c(N1C(=O)C)cccc2

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Molecular Weight: 458.93
Empirical Formula: C21H19ClN4O4S

Physical State: Dry powder
Available Amount: 87 mg

Lipinsky:
logP: 4.213
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 111
Number of rings: 4

     

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