COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK694964
Chemical Name: 3-[(2E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-enoyl]-4-hydroxy-6-methyl-2H-pyran-2-one
Smiles: COc1c(/C=C/C(=O)c2c(O)cc(oc2=O)C)cc(c2c1OCO2)OC

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Molecular Weight: 360.32
Empirical Formula: C18H16O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.044
Rotatable bonds: 6
H-donors: 1
H-acceptors: 8
PSA: 100
Number of rings: 3

     

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