COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046977
Chemical Name: 3-(1,3-benzothiazol-2-yl)-2-(ethoxycarbonyl)-6-ethyl-8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-4-oxo-4H-chromen-7-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])c(CC)cc2c1oc(C(=O)OCC)c(c2=O)c1nc2c(s1)cccc2

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Molecular Weight: 537.64
Empirical Formula: C28H31N3O6S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 2.825
Rotatable bonds: 9
H-donors: 2
H-acceptors: 6
PSA: 144
Number of rings: 5

     

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