COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565004
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: CC[NH+](CCCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccccc2)\[O-])/C(=O)C1=O)CC

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Molecular Weight: 437.5
Empirical Formula: C24H27N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.22
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 110
Number of rings: 3

     

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