COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562653
Chemical Name: (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)Cc1ccc[nH+]c1)/c1ccc2c(c1)OCCO2

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Molecular Weight: 484.55
Empirical Formula: C29H28N2O5

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 4.841
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 5

     

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