COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL544517
Chemical Name: methyl3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-[4-(methylsulfanyl)phenyl]propanoate
Smiles: COC(=O)CC(C1=C(O)C(=O)c2c(C1=O)cccc2)c1ccc(cc1)SC

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Molecular Weight: 382.44
Empirical Formula: C21H18O5S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 4.675
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 105
Number of rings: 3

     

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