COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150539
Chemical Name: (E)-{2-(4-tert-butylphenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/[O-])/C1c1ccc(cc1)C(C)(C)C)CC

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Molecular Weight: 448.61
Empirical Formula: C28H36N2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.179
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 64
Number of rings: 3

     

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