COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK142984
Chemical Name: 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(1E)-N-(2,2,6,6-tetramethylpiperidin-4-yl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one
Smiles: C/C(=N\C1CC(C)(C)NC(C1)(C)C)/c1c([nH]n(c1=O)c1nc2c(s1)cccc2)c1ccccc1

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Molecular Weight: 473.64
Empirical Formula: C27H31N5OS

Physical State: Dry powder
Available Amount: 363 mg

Lipinsky:
logP: 5.804
Rotatable bonds: 2
H-donors: 2
H-acceptors: 1
PSA: 97
Number of rings: 5

     

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