COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL541598
Chemical Name: methyl3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-3-[4-(methylsulfanyl)phenyl]propanoate
Smiles: COC(=O)CC(c1c(O)ccc2c1occ(c2=O)c1ccc(cc1)O)c1ccc(cc1)SC

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Molecular Weight: 462.52
Empirical Formula: C26H22O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.809
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 118
Number of rings: 4

     

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