COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048978
Chemical Name: (E)-[2-(3-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene]{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Smiles: Oc1cccc(c1)C1/C(=C(/c2ccc(cc2)OCc2ccccc2C)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1

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Molecular Weight: 506.56
Empirical Formula: C31H26N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.721
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 104
Number of rings: 5

     

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