COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043288
Chemical Name: 3-ethyl-2-[(Z)-(3-{(Z)-[3-ethyl-5-methoxy-6-(methylsulfanyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-5,5-dimethylcyclohex-2-en-1-ylidene)methyl]-5-methoxy-6-(methylsulfanyl)-1,3-benzothiazol-3-ium
Smiles: COc1cc2c(cc1SC)s/c(=C\C1=C/C(=C\c3sc4c([n+]3CC)cc(c(c4)SC)OC)/CC(C1)(C)C)/n2CC

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Saltdata: Tosylate
Molecular Weight: 611.94
Empirical Formula: C32H39N2O2S4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0
Rotatable bonds: 8
H-donors: 0
H-acceptors: 2
PSA: 129
Number of rings: 5

     

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