COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK325945
Chemical Name: 3-ethyl-2-[(E)-(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-ium4-me
Smiles: Cc1ccc(cc1)S(=O)(=O)[O-].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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Molecular Weight: 783.13
Empirical Formula: C39H46N2O5S5

Physical State: Dry powder
Available Amount: 11 mg

Lipinsky:
logP: 0
Rotatable bonds: 8
H-donors: 0
H-acceptors: 5
PSA: 195
Number of rings: 6

     

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