COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053645
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl[4,5-dioxo-2-(3-propoxyphenyl)-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: CCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1

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Molecular Weight: 486.52
Empirical Formula: C28H26N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.13
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 102
Number of rings: 5

     

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