COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL309176
Chemical Name: 5-(azepan-1-ylmethyl)-2-hydroxy-3-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Smiles: Oc1occ(c(=O)c1CN1CCN(CC1)S(=O)(=O)C)CN1CCCCCC1

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Molecular Weight: 399.51
Empirical Formula: C18H29N3O5S

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 2.11
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 98
Number of rings: 3

     

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