COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147902
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]pyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OC(C)C)CC[NH+](CC)CC)/[O-]

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Molecular Weight: 494.63
Empirical Formula: C29H38N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.168
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 3

     

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