COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037881
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)CCC[NH+](C)C)/[O-]

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Molecular Weight: 512.6
Empirical Formula: C28H36N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.875
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 101
Number of rings: 3

     

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