COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043938
Chemical Name: (E)-(4-butoxy-3-methylphenyl){1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Smiles: CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CC[NH+](CC)CC)/[O-]

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Molecular Weight: 470.63
Empirical Formula: C26H34N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.043
Rotatable bonds: 11
H-donors: 1
H-acceptors: 4
PSA: 102
Number of rings: 3

     

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