COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL494864
Chemical Name: 6-(azepan-1-ylmethyl)-3-hydroxy-2-{[4-(propan-2-ylsulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Smiles: O=c1cc(CN2CCCCCC2)oc(c1O)CN1CCN(CC1)S(=O)(=O)C(C)C

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Molecular Weight: 427.57
Empirical Formula: C20H33N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.989
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 98
Number of rings: 3

     

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