COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560005
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Smiles: CC[NH+](CCN1C(c2ccc(cc2)[N+](=O)[O-])/C(=C(/c2ccc(c(c2)C)OCC(C)C)\[O-])/C(=O)C1=O)CC

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Molecular Weight: 509.6
Empirical Formula: C28H35N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.912
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 119
Number of rings: 3

     

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