COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046624
Chemical Name: (E)-(4-butoxy-3-methylphenyl){1-[2-(diethylammonio)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CC[NH+](CC)CC)/[O-]

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Molecular Weight: 509.6
Empirical Formula: C28H35N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.096
Rotatable bonds: 11
H-donors: 1
H-acceptors: 6
PSA: 119
Number of rings: 3

     

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