COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051312
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: CC[NH+](CCCN1C(c2ccc(cc2)O)/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C1=O)CC

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Molecular Weight: 466.53
Empirical Formula: C26H30N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.51
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 103
Number of rings: 4

     

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