COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL001008
Chemical Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
Smiles: COC1N(Cc2ccc3c(c2)OCO3)C(=O)C2=C1CCCC2

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Molecular Weight: 301.34
Empirical Formula: C17H19NO4

Physical State: Dry powder
Available Amount: 1941 mg

Lipinsky:
logP: 1.814
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 48
Number of rings: 4

     

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