COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK326347
Chemical Name: 1-[6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Smiles: CCC(=O)N1c2ccccc2c2c(OC1c1c(C)nn(c1Cl)c1ccccc1)nc(nn2)SC

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Molecular Weight: 492.99
Empirical Formula: C24H21ClN6O2S

Physical State: Dry powder
Available Amount: 273 mg

Lipinsky:
logP: 5.341
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 111
Number of rings: 5

     

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