COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057310
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate
Smiles: CC[NH+](CCN1C(c2ccc(cc2)O)/C(=C(/c2ccc(cc2)OCC(C)C)\[O-])/C(=O)C1=O)CC

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Molecular Weight: 466.58
Empirical Formula: C27H34N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.985
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 94
Number of rings: 3

     

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