COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL311938
Chemical Name: 5-(azepan-1-ylmethyl)-2-hydroxy-3-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}methyl)-4H-pyran-4-one
Smiles: Oc1occ(c(=O)c1CN1CCN(CC1)C/C=C/c1ccccc1)CN1CCCCCC1

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Molecular Weight: 437.58
Empirical Formula: C26H35N3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.009
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 56
Number of rings: 4

     

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