COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL540925
Chemical Name: methyl3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanoate
Smiles: COC(=O)CC(c1c(O)cc(c2c1oc(c1ccc(c(c1)O)O)c(c2=O)O)O)c1ccc2c(c1)n(C)c(=O)n2C

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Molecular Weight: 548.51
Empirical Formula: C28H24N2O10

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 2.86
Rotatable bonds: 11
H-donors: 5
H-acceptors: 10
PSA: 177
Number of rings: 5

     

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