COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK522029
Chemical Name: 1-[6-(6-chloro-1,3-benzodioxol-5-yl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Smiles: CCCC(=O)N1c2ccccc2c2c(OC1c1cc3OCOc3cc1Cl)nc(nn2)SCC

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Molecular Weight: 484.96
Empirical Formula: C23H21ClN4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.742
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 111
Number of rings: 5

     

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