COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044560
Chemical Name: (E)-(4-chlorophenyl)[2-(4-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: Oc1ccc(cc1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/[O-]

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Molecular Weight: 420.85
Empirical Formula: C23H17ClN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.185
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 94
Number of rings: 4

     

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