COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL287645
Chemical Name: 4-chloro-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]phenyl3-methyl-4-nitrobenzoate
Smiles: Clc1ccc(c(c1)NC1=NS(=O)(=O)c2c1cccc2)OC(=O)c1ccc(c(c1)C)[N+](=O)[O-]

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Molecular Weight: 471.88
Empirical Formula: C21H14ClN3O6S

Physical State: Dry powder
Available Amount: 379 mg

Lipinsky:
logP: 4.987
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 131
Number of rings: 4

     

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