COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL447122
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C(/NC1CC(C)(C)NC(C1)(C)C)\C)c1nc2c(s1)cccc2

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Molecular Weight: 554.18
Empirical Formula: C28H32ClN5OS2

Physical State: Dry powder
Available Amount: 392 mg

Lipinsky:
logP: 8.018
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 123
Number of rings: 5

     

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