COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045686
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(2,3-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(propan-2-yloxy)phenyl]methanolate
Smiles: COc1c(OC)cccc1C1N(CC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OC(C)C)/[O-]

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Molecular Weight: 510.63
Empirical Formula: C29H38N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.387
Rotatable bonds: 11
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 3

     

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