COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL315137
Chemical Name: 5-(azepan-1-ylmethyl)-3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-2-hydroxy-4H-pyran-4-one
Smiles: Oc1occ(c(=O)c1CN1CCN(CC1)Cc1ccc2c(c1)OCO2)CN1CCCCCC1

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Molecular Weight: 455.55
Empirical Formula: C25H33N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.176
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 74
Number of rings: 5

     

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