COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL389881
Chemical Name: methyl4,5-dimethoxy-2-({[5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepin-2-yl]carbonyl}amino)benzoate
Smiles: COC(=O)c1cc(OC)c(cc1NC(=O)C1CCN(c2c(O1)cccc2)S(=O)(=O)C)OC

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Molecular Weight: 464.5
Empirical Formula: C21H24N2O8S

Physical State: Dry powder
Available Amount: 86 mg

Lipinsky:
logP: 2.596
Rotatable bonds: 5
H-donors: 1
H-acceptors: 8
PSA: 128
Number of rings: 3

     

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