COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043785
Chemical Name: (E)-(4-chlorophenyl){1-[2-(diethylammonio)ethyl]-2-(2,3-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1c(OC)cccc1C1N(CC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/[O-]

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Molecular Weight: 472.97
Empirical Formula: C25H29ClN2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.628
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 3

     

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