COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150424
Chemical Name: (E)-(4-butoxy-3-methylphenyl){1-[2-(diethylammonio)ethyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OCC)CC[NH+](CC)CC)/[O-]

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Molecular Weight: 508.66
Empirical Formula: C30H40N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.812
Rotatable bonds: 11
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 3

     

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