COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK078506
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(hexylamino)ethylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCCCCN/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C)/C

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Molecular Weight: 478.68
Empirical Formula: C26H30N4OS2

Physical State: Dry powder
Available Amount: 439 mg

Lipinsky:
logP: 7.841
Rotatable bonds: 7
H-donors: 1
H-acceptors: 1
PSA: 111
Number of rings: 4

     

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