COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL320034
Chemical Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(methylsulfonyl)piperazin-1-yl]-4-oxobutanamide
Smiles: O=C(Nc1ccc2c(c1)OCCCO2)CCC(=O)N1CCN(CC1)S(=O)(=O)C

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Molecular Weight: 411.48
Empirical Formula: C18H25N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.706
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 113
Number of rings: 3

     

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