COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054275
Chemical Name: 2-(1,3-benzoxazol-3-ium-2-yl)-5-{[(biphenyl-4-ylcarbonyl)carbamothioyl]amino}phenolate
Smiles: S=C(NC(=O)c1ccc(cc1)c1ccccc1)Nc1ccc(c(c1)[O-])c1oc2c([nH+]1)cccc2

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Molecular Weight: 465.53
Empirical Formula: C27H19N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.341
Rotatable bonds: 1
H-donors: 3
H-acceptors: 3
PSA: 123
Number of rings: 5

     

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