COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL471014
Chemical Name: (4E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Smiles: COc1cc(CCNC(=O)CC/C(=C/Cc2c(OC)c(C)c3c(c2O)C(=O)OC3)/C)ccc1OC

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Molecular Weight: 483.56
Empirical Formula: C27H33NO7

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.069
Rotatable bonds: 12
H-donors: 2
H-acceptors: 7
PSA: 103
Number of rings: 3

     

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