COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560485
Chemical Name: (E)-(4-butoxy-3-methylphenyl)[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]methanolate
Smiles: CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 546.62
Empirical Formula: C31H34N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.835
Rotatable bonds: 9
H-donors: 1
H-acceptors: 7
PSA: 111
Number of rings: 4

     

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