COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055606
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Smiles: C[NH+](CCN1C(c2ccc(cc2)C(C)C)/C(=C(/c2ccc(cc2)OCc2cccc(c2)C)\[O-])/C(=O)C1=O)C

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Molecular Weight: 512.65
Empirical Formula: C32H36N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.703
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 4

     

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