COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK032890
Chemical Name: 3-[(2E)-2-(3-chloro-5-ethoxy-4-hydroxybenzylidene)-1-(1,1-dioxido-1,2-benzothiazol-3-yl)hydrazinyl]propanenitrile
Smiles: N#CCCN(C1=NS(=O)(=O)c2c1cccc2)/N=C/c1cc(Cl)c(c(c1)OCC)O

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Molecular Weight: 432.89
Empirical Formula: C19H17ClN4O4S

Physical State: Dry powder
Available Amount: 450 mg

Lipinsky:
logP: 3.26
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 115
Number of rings: 3

     

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