COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057166
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Smiles: C[NH+](CCCN1C(c2cccs2)/C(=C(/c2ccc(cc2)OC(C)C)\[O-])/C(=O)C1=O)C

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Molecular Weight: 428.55
Empirical Formula: C23H28N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.93
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 102
Number of rings: 3

     

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