COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051946
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C(N1CCCn1c[nH+]cc1)c1cccs1

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Molecular Weight: 451.5
Empirical Formula: C23H21N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.589
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 126
Number of rings: 5

     

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