COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK693116
Chemical Name: (2E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
Smiles: COc1c(/C=C/C(=O)N2CCCC2)cc(c2c1OCO2)OC

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Molecular Weight: 305.33
Empirical Formula: C16H19NO5

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 2.83
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 57
Number of rings: 3

     

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