COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565769
Chemical Name: (E)-[4,5-dioxo-2-(3-propoxyphenyl)-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methoxyphenyl)methanolate
Smiles: CCCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)OC)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

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Molecular Weight: 458.51
Empirical Formula: C27H26N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.32
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 4

     

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