COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL059219
Chemical Name: 2-{(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dien-1-yl}-3-methyl-1,3-benzothiazol-3-ium
Smiles: CN(c1ccc(cc1)/C=C/C=C/c1sc2c([n+]1C)cccc2)C

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Saltdata: ClO4-
Molecular Weight: 321.47
Empirical Formula: C20H21N2S

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 0
Rotatable bonds: 2
H-donors: 0
H-acceptors: 0
PSA: 35
Number of rings: 3

     

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