COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK583614
Chemical Name: (E)-[2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene](2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1

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Molecular Weight: 553.37
Empirical Formula: C26H21BrN2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.229
Rotatable bonds: 5
H-donors: 2
H-acceptors: 7
PSA: 122
Number of rings: 5

     

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