COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL129481
Chemical Name: 4-[(2-ammonio-3-methoxy-3-oxopropyl)sulfanyl]-6-chloro-2-methylquinolinium
Smiles: Cc1cc(SCC([NH3+])C(=O)OC)c2c([nH+]1)ccc(c2)Cl

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Saltdata: 2 Cl-
Molecular Weight: 312.82
Empirical Formula: C14H17ClN2O2S

Physical State: Dry powder
Available Amount: 88 mg

Lipinsky:
logP: 2.58
Rotatable bonds: 5
H-donors: 4
H-acceptors: 2
PSA: 93
Number of rings: 2

     

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