COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK558992
Chemical Name: (E)-[4-(benzyloxy)-2-methylphenyl]{1-[3-(dimethylammonio)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: C[NH+](CCCN1C(c2ccc(cc2)[N+](=O)[O-])/C(=C(/c2ccc(cc2C)OCc2ccccc2)\[O-])/C(=O)C1=O)C

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Molecular Weight: 529.59
Empirical Formula: C30H31N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.218
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 119
Number of rings: 4

     

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