COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563669
Chemical Name: (E)-{2-(4-tert-butylphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C(N1CCCn1c[nH+]cc1)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 501.58
Empirical Formula: C29H31N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.599
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 97
Number of rings: 5

     

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