COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK846452
Chemical Name: (1E,2E)-1-{1-[2-(diethylammonio)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}-3-phenylprop-2-en-1-olate
Smiles: COc1cc(ccc1O)C1N(CC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\C=C\c1ccccc1)/[O-]

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Molecular Weight: 450.53
Empirical Formula: C26H30N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.143
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 94
Number of rings: 3

     

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