COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049240
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C1c1ccc(cc1)C(=O)OC)CC

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Molecular Weight: 508.57
Empirical Formula: C28H32N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.223
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 109
Number of rings: 4

     

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