COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK741773
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCN(c1ccc(cc1)/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C)CC

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Molecular Weight: 512.7
Empirical Formula: C29H28N4OS2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.574
Rotatable bonds: 4
H-donors: 0
H-acceptors: 1
PSA: 102
Number of rings: 5

     

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