COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK741702
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(octylamino)methylidene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCCCCCCN/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1

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Molecular Weight: 432.59
Empirical Formula: C25H28N4OS

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 7.159
Rotatable bonds: 7
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 4

     

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