COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK604184
Chemical Name: 2-(azepan-1-ylmethyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one
Smiles: OCc1oc(CN2CCCCCC2)c(c(=O)c1)O

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Molecular Weight: 253.3
Empirical Formula: C13H19NO4

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 2.175
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 70
Number of rings: 2

     

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