COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK694552
Chemical Name: (1E,4E)-1,5-bis(4,7-dimethoxy-1,3-benzodioxol-5-yl)penta-1,4-dien-3-one
Smiles: COc1c(/C=C/C(=O)/C=C/c2cc(OC)c3c(c2OC)OCO3)cc(c2c1OCO2)OC

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Molecular Weight: 442.42
Empirical Formula: C23H22O9

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 6.181
Rotatable bonds: 8
H-donors: 0
H-acceptors: 9
PSA: 90
Number of rings: 4

     

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