COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046376
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Smiles: CC[NH+](CCN1C(c2cccnc2)/C(=C(/c2ccc(c(c2)C)OCC(C)C)\[O-])/C(=O)C1=O)CC

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Molecular Weight: 465.59
Empirical Formula: C27H35N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.689
Rotatable bonds: 10
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 3

     

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