COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980124
Chemical Name: 1-[6-(2,3-dichlorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Smiles: CCCC(=O)N1c2ccccc2c2c(OC1c1cccc(c1Cl)Cl)nc(nn2)SC

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Molecular Weight: 461.37
Empirical Formula: C21H18Cl2N4O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.685
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 93
Number of rings: 4

     

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