COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045207
Chemical Name: 8-(azepanium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-olate
Smiles: CCc1cc2c(c(c1[O-])C[NH+]1CCCCCC1)occ(c2=O)c1nc2c(s1)cccc2

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Molecular Weight: 434.56
Empirical Formula: C25H26N2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.414
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 94
Number of rings: 5

     

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