COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK589801
Chemical Name: (E)-[2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene](2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1

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Molecular Weight: 551.39
Empirical Formula: C27H23BrN2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.917
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 113
Number of rings: 5

     

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