COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563742
Chemical Name: (E)-{2-(4-tert-butylphenyl)-1-[3-(dimethylammonio)propyl]-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)C(C)(C)C)CCC[NH+](C)C)/[O-]

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Molecular Weight: 490.6
Empirical Formula: C29H34N2O5

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 5.383
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 87
Number of rings: 4

     

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