COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148677
Chemical Name: (E)-(3,4-dimethoxyphenyl){1-[3-(dimethylammonio)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CCC[NH+](C)C)/[O-]

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Molecular Weight: 469.49
Empirical Formula: C24H27N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.985
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 129
Number of rings: 3

     

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