COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056502
Chemical Name: 2-(1,3-benzoxazol-3-ium-2-yl)-4-({[(2-chloro-4-fluorophenyl)carbonyl]carbamothioyl}amino)phenolate
Smiles: S=C(NC(=O)c1ccc(cc1Cl)F)Nc1ccc(c(c1)c1oc2c([nH+]1)cccc2)[O-]

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Molecular Weight: 441.87
Empirical Formula: C21H13ClFN3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.171
Rotatable bonds: 2
H-donors: 3
H-acceptors: 3
PSA: 123
Number of rings: 4

     

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