COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566745
Chemical Name: (E)-(1-[2-(dimethylammonio)ethyl]-2-{4-[2-(2-methylphenoxy)ethoxy]phenyl}-4,5-dioxopyrrolidin-3-ylidene)(4-methylphenyl)methanolate
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OCCOc1ccccc1C)CC[NH+](C)C)/[O-]

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Molecular Weight: 514.62
Empirical Formula: C31H34N2O5

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 5.815
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 4

     

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