COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052211
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: CC[NH+](CCCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C1=O)CC

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Molecular Weight: 495.53
Empirical Formula: C26H29N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.976
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 129
Number of rings: 4

     

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