COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559544
Chemical Name: (E)-(4-chlorophenyl)[2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1cc(ccc1O)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/[O-]

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Molecular Weight: 450.88
Empirical Formula: C24H19ClN2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.89
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 104
Number of rings: 4

     

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