COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055769
Chemical Name: 4-({[(2-chlorophenyl)carbonyl]carbamothioyl}amino)-2-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)phenolate
Smiles: S=C(NC(=O)c1ccccc1Cl)Nc1ccc(c(c1)c1[nH+]c2c(o1)cc(c(c2)C)C)[O-]

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Molecular Weight: 451.93
Empirical Formula: C23H18ClN3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.312
Rotatable bonds: 2
H-donors: 3
H-acceptors: 3
PSA: 123
Number of rings: 4

     

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