COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK131803
Chemical Name: 3-[(2E)-2-[4-(diethylamino)benzylidene]-1-(1,1-dioxido-1,2-benzothiazol-3-yl)hydrazinyl]propanenitrile
Smiles: N#CCCN(C1=NS(=O)(=O)c2c1cccc2)/N=C/c1ccc(cc1)N(CC)CC

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Saltdata: HCl
Molecular Weight: 409.51
Empirical Formula: C21H23N5O2S

Physical State: Dry powder
Available Amount: 233 mg

Lipinsky:
logP: 3.345
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 89
Number of rings: 3

     

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