COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL313505
Chemical Name: 5-(azepan-1-ylmethyl)-3-{[4-(3-chlorobenzyl)piperazin-1-yl]methyl}-2-hydroxy-4H-pyran-4-one
Smiles: Clc1cccc(c1)CN1CCN(CC1)Cc1c(O)occ(c1=O)CN1CCCCCC1

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Molecular Weight: 445.99
Empirical Formula: C24H32ClN3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.909
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 56
Number of rings: 4

     

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