COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046846
Chemical Name: (E)-{2-(4-bromophenyl)-1-[2-(dimethylammonio)ethyl]-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)Br)CC[NH+](C)C)/[O-]

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Molecular Weight: 499.36
Empirical Formula: C24H23BrN2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.342
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 87
Number of rings: 4

     

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