COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545608
Chemical Name: 4-[1-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-methoxy-3-oxopropyl]benzoicacid
Smiles: COC(=O)CC(C1=C(O)C(=O)c2c(C1=O)cccc2)c1ccc(cc1)C(=O)O

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Molecular Weight: 380.35
Empirical Formula: C21H16O7

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.865
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 117
Number of rings: 3

     

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