COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045136
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C\1/C(c2cc(OC)c(c(c2)OC)OC)N(C(=O)C1=O)CCC[NH+](C)C)/[O-]

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Molecular Weight: 484.55
Empirical Formula: C26H32N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.842
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 101
Number of rings: 3

     

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