COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL416894
Chemical Name: dimethyl5-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}benzene-1,3-dicarboxylate
Smiles: COC(=O)c1cc(NC(=O)CN2C(=O)c3c(S2(=O)=O)cccc3)cc(c1)C(=O)OC

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Molecular Weight: 432.41
Empirical Formula: C19H16N2O8S

Physical State: Dry powder
Available Amount: 136 mg

Lipinsky:
logP: 2.252
Rotatable bonds: 6
H-donors: 1
H-acceptors: 8
PSA: 144
Number of rings: 3

     

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