COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041395
Chemical Name: 4-({[(2-fluorophenyl)carbonyl]carbamothioyl}amino)-2-[5-(propan-2-yl)-1,3-benzoxazol-3-ium-2-yl]phenolate
Smiles: S=C(NC(=O)c1ccccc1F)Nc1ccc(c(c1)c1oc2c([nH+]1)cc(cc2)C(C)C)[O-]

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Molecular Weight: 449.51
Empirical Formula: C24H20FN3O3S

Physical State: Dry powder
Available Amount: 283 mg

Lipinsky:
logP: 6.187
Rotatable bonds: 3
H-donors: 3
H-acceptors: 3
PSA: 123
Number of rings: 4

     

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