COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK259021
Chemical Name: [2-(1,3-benzodioxol-5-yl)-7-methyl-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methanediyldiacetate
Smiles: CC(=O)OC(C12C=CC(O1)(C1C2C(=O)N(C1=O)c1ccc2c(c1)OCO2)C)OC(=O)C

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Molecular Weight: 429.38
Empirical Formula: C21H19NO9

Physical State: Dry powder
Available Amount: 145 mg

Lipinsky:
logP: 1.609
Rotatable bonds: 5
H-donors: 0
H-acceptors: 9
PSA: 117
Number of rings: 5

     

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