COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147987
Chemical Name: (E)-(1-[3-(dimethylammonio)propyl]-2-{4-[2-(2-methylphenoxy)ethoxy]phenyl}-4,5-dioxopyrrolidin-3-ylidene)(phenyl)methanolate
Smiles: C[NH+](CCCN1C(c2ccc(cc2)OCCOc2ccccc2C)/C(=C(/c2ccccc2)\[O-])/C(=O)C1=O)C

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Molecular Weight: 514.62
Empirical Formula: C31H34N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.479
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 4

     

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