COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK129700
Chemical Name: 2-[(diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]phenyl2-bromobenzoate
Smiles: CCN(Cc1cc(ccc1OC(=O)c1ccccc1Br)NC1=NS(=O)(=O)c2c1cccc2)CC

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Saltdata: HCl
Molecular Weight: 542.45
Empirical Formula: C25H24BrN3O4S

Physical State: Dry powder
Available Amount: 88 mg

Lipinsky:
logP: 4.745
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 88
Number of rings: 4

     

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