COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL036995
Chemical Name: 3-(1,3-benzothiazol-2-yl)-2-(ethoxycarbonyl)-6-ethyl-8-[(4-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Smiles: CCOC(=O)c1oc2c(C[NH+]3CCC(CC3)C)c([O-])c(cc2c(=O)c1c1nc2c(s1)cccc2)CC

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Molecular Weight: 506.62
Empirical Formula: C28H30N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.417
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 121
Number of rings: 5

     

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