COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050975
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Smiles: C[NH+](CCN1C(c2ccc(cc2)O)/C(=C(/c2ccc(cc2)OC(C)C)\[O-])/C(=O)C1=O)C

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Molecular Weight: 424.5
Empirical Formula: C24H28N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.391
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 94
Number of rings: 3

     

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