COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK956992
Chemical Name: 2-(1,3-benzothiazol-2-yl)-4-[(E)-(butan-2-ylimino)methyl]-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: CCC(/N=C/c1c([nH]n(c1=O)c1nc2c(s1)cccc2)c1ccccc1)C

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Molecular Weight: 376.48
Empirical Formula: C21H20N4OS

Physical State: Dry powder
Available Amount: 49 mg

Lipinsky:
logP: 5.078
Rotatable bonds: 3
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 4

     

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