COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL542282
Chemical Name: methyl3-(3-{[4-(acetylamino)phenoxy]methyl}-4-methoxyphenyl)-3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]propanoate
Smiles: COC(=O)CC(c1c(O)cc(c2c1oc(c1ccc(c(c1)O)O)c(c2=O)O)O)c1ccc(c(c1)COc1ccc(cc1)NC(=O)C)OC

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Molecular Weight: 657.63
Empirical Formula: C35H31NO12

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.065
Rotatable bonds: 14
H-donors: 6
H-acceptors: 12
PSA: 201
Number of rings: 5

     

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