COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK567711
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C1c1ccc(cc1)OC)CC

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Molecular Weight: 466.53
Empirical Formula: C26H30N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.037
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 4

     

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