COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055273
Chemical Name: (E)-(4-butoxyphenyl){2-(4-hydroxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)O)CC[NH+]1CCOCC1)/[O-]

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Molecular Weight: 480.56
Empirical Formula: C27H32N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.713
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 103
Number of rings: 4

     

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