COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK126123
Chemical Name: 3-ethyl-2-{(1E,3E,5E)-6-[(4-methylphenyl)amino]hexa-1,3,5-trien-1-yl}-1,3-benzothiazol-3-ium
Smiles: CC[n+]1c(/C=C/C=C/C=C/Nc2ccc(cc2)C)sc2c1cccc2

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Saltdata: I-
Molecular Weight: 347.5
Empirical Formula: C22H23N2S

Physical State: Dry powder
Available Amount: 259 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 1
H-acceptors: 0
PSA: 44
Number of rings: 3

     

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