COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK396361
Chemical Name: 3-[(2Z)-5-methoxy-2-[(2E)-2-{[5-methoxy-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene}butylidene]-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate
Smiles: COc1ccc2c(c1)[n+](CCCS(=O)(=O)[O-])c(s2)/C=C(/C=c/1\sc2c(n1CCCS(=O)(=O)[O-])cc(cc2)OC)\CC

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Molecular Weight: 639.82
Empirical Formula: C27H31N2O8S4

Physical State: Dry powder
Available Amount: 863 mg

Lipinsky:
logP: 0
Rotatable bonds: 11
H-donors: 0
H-acceptors: 8
PSA: 210
Number of rings: 4

     

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