COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561205
Chemical Name: (E)-(1-[2-(dimethylammonio)ethyl]-2-{4-[2-(2-methylphenoxy)ethoxy]phenyl}-4,5-dioxopyrrolidin-3-ylidene)(4-fluorophenyl)methanolate
Smiles: Fc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OCCOc1ccccc1C)CC[NH+](C)C)/[O-]

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Molecular Weight: 518.59
Empirical Formula: C30H31FN2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.364
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 4

     

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