COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045279
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/[O-])/C1c1ccc(cc1)C(C)C)CC

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Molecular Weight: 434.58
Empirical Formula: C27H34N2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.165
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 64
Number of rings: 3

     

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