COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037446
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-(3-methoxy-4-propoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Smiles: CCCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)OC(C)C)\[O-])/C(=O)C(=O)N1CC[NH+](C)C

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Molecular Weight: 496.6
Empirical Formula: C28H36N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.927
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 3

     

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