COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK096594
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-[4-(methylsulfanyl)benzylidene]-2,4-dihydro-3H-pyrazol-3-one
Smiles: CSc1ccc(cc1)/C=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C

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Molecular Weight: 487.67
Empirical Formula: C26H21N3OS3

Physical State: Dry powder
Available Amount: 207 mg

Lipinsky:
logP: 7.491
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 124
Number of rings: 5

     

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