COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK709573
Chemical Name: 9a'-hydroxy-1'-oxo-1',2',5a',6',7',8',9',9a'-octahydrospiro[cyclohexane-1,3'-pyrido[2,1-b][1,3]benzothiazole]-2',4'-dicarbonitrile
Smiles: N#CC1=C2SC3C(N2C(=O)C(C21CCCCC2)C#N)(O)CCCC3

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Molecular Weight: 343.45
Empirical Formula: C18H21N3O2S

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 2.553
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 113
Number of rings: 4

     

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