COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL313209
Chemical Name: 6-(azepan-1-ylmethyl)-3-hydroxy-1-methyl-2-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}methyl)pyridin-4(1H)-one
Smiles: Oc1c(=O)cc(n(c1CN1CCN(CC1)C/C=C/c1ccccc1)C)CN1CCCCCC1

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Molecular Weight: 450.62
Empirical Formula: C27H38N4O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.776
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 50
Number of rings: 4

     

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