COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561558
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}[3-methyl-4-(propan-2-yloxy)phenyl]methanolate
Smiles: COc1cc(cc(c1OC)OC)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OC(C)C)/[O-]

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Molecular Weight: 512.6
Empirical Formula: C28H36N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.027
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 101
Number of rings: 3

     

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