COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK093860
Chemical Name: 3-[(2Z)-5-phenyl-2-[(2E)-2-{[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene}butylidene]-1,3-benzoxazol-3(2H)-yl]propane-1-sulfonate
Smiles: CC/C(=C\c1oc2c([n+]1CCCS(=O)(=O)[O-])cc(cc2)c1ccccc1)/C=c/1\oc2c(n1CCCS(=O)(=O)[O-])cc(cc2)c1ccccc1

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Saltdata: Li+
Molecular Weight: 699.83
Empirical Formula: C37H35N2O8S2

Physical State: Dry powder
Available Amount: 1080 mg

Lipinsky:
logP: 0
Rotatable bonds: 9
H-donors: 0
H-acceptors: 8
PSA: 160
Number of rings: 6

     

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