COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560244
Chemical Name: (E)-(4-butoxy-3-methylphenyl){2-(4-tert-butylphenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CC[NH+](CC)CC)/[O-]

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Molecular Weight: 520.71
Empirical Formula: C32H44N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.054
Rotatable bonds: 10
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 3

     

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