COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK031856
Chemical Name: 1-ethylpyridinium3-[(2Z)-6-phenyl-2-[(2E)-2-{[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene}butylidene]-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate
Smiles: CC/C(=C\c1sc2c([n+]1CCCS(=O)(=O)[O-])cc(cc2)c1ccccc1)/C=c/1\sc2c(n1CCCS(=O)(=O)[O-])ccc(c2)c1ccccc1.CC[n+]1ccccc1

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Molecular Weight: 840.12
Empirical Formula: C44H45N3O6S4

Physical State: Dry powder
Available Amount: 95 mg

Lipinsky:
logP: 0
Rotatable bonds: 9
H-donors: 0
H-acceptors: 6
PSA: 195
Number of rings: 7

     

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