COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL169421
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-{[(2-methylpropyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC(CN/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)C)C

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Molecular Weight: 314.41
Empirical Formula: C16H18N4OS

Physical State: Dry powder
Available Amount: 38 mg

Lipinsky:
logP: 3.097
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 3

     

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