COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049411
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-[4-(methoxycarbonyl)phenyl]-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1

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Molecular Weight: 508.53
Empirical Formula: C27H28N2O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.643
Rotatable bonds: 5
H-donors: 1
H-acceptors: 8
PSA: 118
Number of rings: 5

     

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