COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545689
Chemical Name: methyl3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-[4-(octyloxy)phenyl]propanoate
Smiles: CCCCCCCCOc1ccc(cc1)C(C1=C(O)C(=O)c2c(C1=O)cccc2)CC(=O)OC

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Molecular Weight: 464.56
Empirical Formula: C28H32O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.823
Rotatable bonds: 12
H-donors: 1
H-acceptors: 6
PSA: 89
Number of rings: 3

     

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