COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149107
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CC[NH+](C)C)/[O-]

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Molecular Weight: 370.47
Empirical Formula: C20H22N2O3S

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 3.441
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 93
Number of rings: 3

     

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