COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559944
Chemical Name: (E)-{4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}(4-methoxyphenyl)methanolate
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OC(C)C)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 458.51
Empirical Formula: C27H26N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.136
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 4

     

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