COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148906
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(3-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/[O-])/C1c1cccc(c1)O)CC

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Molecular Weight: 450.53
Empirical Formula: C26H30N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.073
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 94
Number of rings: 4

     

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