COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL287658
Chemical Name: [4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl](3-methyl-4-nitrophenyl)methanone
Smiles: O=C(c1ccc(c(c1)C)[N+](=O)[O-])N1CCN(CC1)C1=NS(=O)(=O)c2c1cccc2

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Molecular Weight: 414.44
Empirical Formula: C19H18N4O5S

Physical State: Dry powder
Available Amount: 561 mg

Lipinsky:
logP: 0.568
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 116
Number of rings: 4

     

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