COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL519804
Chemical Name: (2Z)-2-[4-(methoxycarbonyl)benzylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: COC(=O)c1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCOCC1)[O-]

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Molecular Weight: 395.41
Empirical Formula: C22H21NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.905
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 89
Number of rings: 4

     

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