COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521242
Chemical Name: 1-[6-(4-methylphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Smiles: CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(cc1)C

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Molecular Weight: 392.48
Empirical Formula: C21H20N4O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.549
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 93
Number of rings: 4

     

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