COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037080
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Smiles: COc1cccc2c1oc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CC[NH+](CC)CC)/[O-]

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Molecular Weight: 493.52
Empirical Formula: C26H27N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.363
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 133
Number of rings: 4

     

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