COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL482867
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(4-phenylpiperazin-1-yl)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C(/N1CCN(CC1)c1ccccc1)\C)c1nc2c(s1)cccc2

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Molecular Weight: 560.14
Empirical Formula: C29H26ClN5OS2

Physical State: Dry powder
Available Amount: 231 mg

Lipinsky:
logP: 7.451
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 105
Number of rings: 6

     

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