COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK083640
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-[(pentylamino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCCCN/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C

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Molecular Weight: 450.63
Empirical Formula: C24H26N4OS2

Physical State: Dry powder
Available Amount: 374 mg

Lipinsky:
logP: 6.758
Rotatable bonds: 6
H-donors: 1
H-acceptors: 1
PSA: 111
Number of rings: 4

     

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