COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL290583
Chemical Name: 3-[(2E)-2-(3-bromo-2-hydroxy-5-nitrobenzylidene)-1-(1,1-dioxido-1,2-benzothiazol-3-yl)hydrazinyl]-N-tert-butylpropanamide
Smiles: O=C(NC(C)(C)C)CCN(C1=NS(=O)(=O)c2c1cccc2)/N=C/c1cc(cc(c1O)Br)[N+](=O)[O-]

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Molecular Weight: 552.41
Empirical Formula: C21H22BrN5O6S

Physical State: Dry powder
Available Amount: 420 mg

Lipinsky:
logP: 3.966
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 157
Number of rings: 3

     

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