COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528553
Chemical Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-8-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]oct-6-yl)methyl]-4H-chromen-7-olate
Smiles: CCc1cc2c(c(c1[O-])C[NH+]1CC3(CC1CC(C3)(C)C)C)occ(c2=O)c1nc2c(s1)cccc2

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Molecular Weight: 488.65
Empirical Formula: C29H32N2O3S

Physical State: Dry powder
Available Amount: 5 mg

Lipinsky:
logP: 6.779
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 94
Number of rings: 6

     

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