COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK367799
Chemical Name: 3-ethyl-2-[(E)-(1-ethylquinolin-2(1H)-ylidene)methyl]-5-hydroxy-1,3-benzothiazol-3-ium
Smiles: CC[n+]1c(/C=c/2\ccc3c(n2CC)cccc3)sc2c1cc(O)cc2

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Saltdata: CH3C6H4SO3-
Molecular Weight: 349.48
Empirical Formula: C21H21N2OS

Physical State: Dry powder
Available Amount: 129 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 1
H-acceptors: 1
PSA: 55
Number of rings: 4

     

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