COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565375
Chemical Name: (E)-[1-(2-methoxyethyl)-4,5-dioxo-2-(pyridinium-4-yl)pyrrolidin-3-ylidene]{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Smiles: COCCN1C(c2cc[nH+]cc2)/C(=C(/c2ccc(cc2)OCc2ccccc2C)\[O-])/C(=O)C1=O

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Molecular Weight: 458.51
Empirical Formula: C27H26N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.728
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 4

     

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