COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044134
Chemical Name: (E)-(3-chloro-4-ethoxyphenyl){1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Smiles: CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CCC[NH+](C)C)/[O-]

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Molecular Weight: 448.97
Empirical Formula: C22H25ClN2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.137
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 102
Number of rings: 3

     

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