COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559389
Chemical Name: (E)-[1-(3-methoxypropyl)-4,5-dioxo-2-(pyridinium-4-yl)pyrrolidin-3-ylidene][3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Smiles: COCCCN1C(c2cc[nH+]cc2)/C(=C(/c2ccc(c(c2)C)OCC(C)C)\[O-])/C(=O)C1=O

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Molecular Weight: 438.52
Empirical Formula: C25H30N2O5

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.607
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 3

     

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