COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK124192
Chemical Name: 2-[(1E,3E,5E)-6-(3,4-dihydroquinolin-1(2H)-yl)hexa-1,3,5-trien-1-yl]-3-(2-hydroxyethyl)-5-methoxy-1,3-benzothiazol-3-ium
Smiles: OCC[n+]1c(/C=C/C=C/C=C/N2CCCc3c2cccc3)sc2c1cc(OC)cc2

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Saltdata: I-
Molecular Weight: 419.57
Empirical Formula: C25H27N2O2S

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 64
Number of rings: 4

     

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