COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK135956
Chemical Name: 3-[(2E)-2-(5-bromo-2-hydroxy-3-methoxybenzylidene)-1-(1,1-dioxido-1,2-benzothiazol-3-yl)hydrazinyl]propanenitrile
Smiles: N#CCCN(C1=NS(=O)(=O)c2c1cccc2)/N=C/c1cc(Br)cc(c1O)OC

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Molecular Weight: 463.31
Empirical Formula: C18H15BrN4O4S

Physical State: Dry powder
Available Amount: 338 mg

Lipinsky:
logP: 3.283
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 115
Number of rings: 3

     

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