COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK568596
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-[4-(dimethylamino)phenyl]-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C(N1CCCn1c[nH+]cc1)c1ccc(cc1)N(C)C

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Molecular Weight: 488.54
Empirical Formula: C27H28N4O5

Physical State: Dry powder
Available Amount: 195 mg

Lipinsky:
logP: 3.02
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 101
Number of rings: 5

     

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