COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045061
Chemical Name: (E)-[4-(benzyloxy)-3-methylphenyl]{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Smiles: COc1cc(cc(c1OC)OC)C1N(CC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCc1ccccc1)/[O-]

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Molecular Weight: 588.7
Empirical Formula: C34H40N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.866
Rotatable bonds: 10
H-donors: 1
H-acceptors: 7
PSA: 101
Number of rings: 4

     

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