COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL036766
Chemical Name: (E)-(3,4-dimethoxyphenyl){1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Smiles: COc1cc(ccc1OC)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CC[NH+](C)C)/[O-]

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Molecular Weight: 416.5
Empirical Formula: C21H24N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.808
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 3

     

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