COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040161
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: C[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/[O-])/C1c1ccc(cc1)[N+](=O)[O-])C

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Molecular Weight: 409.44
Empirical Formula: C22H23N3O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.158
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 110
Number of rings: 3

     

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