COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037690
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Smiles: C[NH+](CCN1C(c2ccc(cc2)O)/C(=C(/c2ccc(cc2)OCc2ccccc2C)\[O-])/C(=O)C1=O)C

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Molecular Weight: 486.57
Empirical Formula: C29H30N2O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.628
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 94
Number of rings: 4

     

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