COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL446589
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(4-methylpiperazin-1-yl)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Smiles: CN1CCN(CC1)/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)/C

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Molecular Weight: 498.07
Empirical Formula: C24H24ClN5OS2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.141
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 105
Number of rings: 5

     

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