COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148447
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/[O-])/C1c1cc(OC)c(c(c1)OC)OC)CC

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Molecular Weight: 482.58
Empirical Formula: C27H34N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.929
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 3

     

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