COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL522612
Chemical Name: (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-N-[2-(1H-imidazol-4-yl)ethyl]-4-methylhex-4-enamide
Smiles: COc1c(C/C=C(/CCC(=O)NCCc2c[nH]cn2)\C)c(O)c2c(c1C)COC2=O

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Molecular Weight: 413.47
Empirical Formula: C22H27N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.953
Rotatable bonds: 10
H-donors: 3
H-acceptors: 5
PSA: 113
Number of rings: 3

     

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