COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK694965
Chemical Name: 4-hydroxy-3-[(2E)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoyl]-6-methyl-2H-pyran-2-one
Smiles: COc1cc(/C=C/C(=O)c2c(O)cc(oc2=O)C)cc2c1OCO2

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Molecular Weight: 330.29
Empirical Formula: C17H14O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.738
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 91
Number of rings: 3

     

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