COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK874226
Chemical Name: 2-{(1E,3E)-4-[acetyl(phenyl)amino]buta-1,3-dien-1-yl}-3-ethyl-6-methoxy-1,3-benzothiazol-3-ium
Smiles: COc1ccc2c(c1)sc([n+]2CC)/C=C/C=C/N(c1ccccc1)C(=O)C

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Saltdata: I-
Molecular Weight: 379.5
Empirical Formula: C22H23N2O2S

Physical State: Dry powder
Available Amount: 281 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 61
Number of rings: 3

     

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