COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045227
Chemical Name: (E)-(3,4-dimethoxyphenyl){4,5-dioxo-2-[4-(propan-2-yl)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}methanolate
Smiles: COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 472.54
Empirical Formula: C28H28N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.563
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 4

     

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