COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148754
Chemical Name: (E)-(3,4-dimethoxyphenyl){1-[2-(dimethylammonio)ethyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1cc(ccc1OC)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CC[NH+](C)C)/[O-]

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Molecular Weight: 424.5
Empirical Formula: C24H28N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.59
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 3

     

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