COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056396
Chemical Name: 2-(5-chloro-1,3-benzoxazol-3-ium-2-yl)-5-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}phenolate
Smiles: S=C(NC(=O)c1cccs1)Nc1ccc(c(c1)[O-])c1oc2c([nH+]1)cc(cc2)Cl

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Molecular Weight: 429.91
Empirical Formula: C19H12ClN3O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.892
Rotatable bonds: 2
H-donors: 3
H-acceptors: 3
PSA: 151
Number of rings: 4

     

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