COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051913
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-[4-(dimethylamino)phenyl]-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CN(c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1)C

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Molecular Weight: 507.59
Empirical Formula: C28H33N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.899
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 95
Number of rings: 5

     

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