COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK509070
Chemical Name: methyl4-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1Oc2nc(SC)nnc2c2c(N1C(=O)C)cccc2

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Molecular Weight: 422.46
Empirical Formula: C21H18N4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.535
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 119
Number of rings: 4

     

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