COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK575489
Chemical Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: O=C1/C(=C/c2ccc3c(c2)OCO3)/Oc2c1ccc(c2C[NH+]1CCOCC1)[O-]

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Molecular Weight: 381.39
Empirical Formula: C21H19NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.048
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 81
Number of rings: 5

     

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