COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL363179
Chemical Name: 3-[(2Z)-2-{(2E)-2-[(5-methoxy-3-methyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene}-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate
Smiles: CC/C(=C\c1oc2c([n+]1C)cc(cc2)OC)/C=c/1\sc2c(n1CCCS(=O)(=O)[O-])cccc2

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Molecular Weight: 486.61
Empirical Formula: C24H26N2O5S2

Physical State: Dry powder
Available Amount: 235 mg

Lipinsky:
logP: 0
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 120
Number of rings: 4

     

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