COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045020
Chemical Name: (E)-{2-(4-hydroxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Smiles: Oc1ccc(cc1)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1ccccc1C)/[O-]

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Molecular Weight: 523.59
Empirical Formula: C31H29N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.48
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 5

     

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