COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047077
Chemical Name: (E)-(3-chloro-4-methoxyphenyl){1-[3-(dimethylammonio)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CCC[NH+](C)C)/[O-]

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Molecular Weight: 473.91
Empirical Formula: C23H24ClN3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.658
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 119
Number of rings: 3

     

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