COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056884
Chemical Name: (E)-(4-butoxyphenyl)[2-(2,5-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: CCCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)ccc1OC)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 502.57
Empirical Formula: C29H30N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.817
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 102
Number of rings: 4

     

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