COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL441446
Chemical Name: methyl{(3E)-3-[4-(dimethylamino)benzylidene]-1,1-dioxido-4-oxo-3,4-dihydro-2H-1,2-benzothiazin-2-yl}acetate
Smiles: COC(=O)CN1/C(=C/c2ccc(cc2)N(C)C)/C(=O)c2c(S1(=O)=O)cccc2

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Molecular Weight: 400.46
Empirical Formula: C20H20N2O5S

Physical State: Dry powder
Available Amount: 76 mg

Lipinsky:
logP: 5.236
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 92
Number of rings: 3

     

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