COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK018521
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(propylamino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCN/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CCC)/C

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Molecular Weight: 342.47
Empirical Formula: C18H22N4OS

Physical State: Dry powder
Available Amount: 511 mg

Lipinsky:
logP: 4.365
Rotatable bonds: 4
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 3

     

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