COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK387001
Chemical Name: 3-[(2E)-2-(5-bromo-2-hydroxybenzylidene)-1-(1,1-dioxido-1,2-benzothiazol-3-yl)hydrazinyl]propanenitrile
Smiles: N#CCCN(C1=NS(=O)(=O)c2c1cccc2)/N=C/c1cc(Br)ccc1O

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Molecular Weight: 433.29
Empirical Formula: C17H13BrN4O3S

Physical State: Dry powder
Available Amount: 700 mg

Lipinsky:
logP: 3.287
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 106
Number of rings: 3

     

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