COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK053587
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(4-hydroxy-3,5-dimethoxybenzylidene)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(/C=C\2/C(=NN(C2=O)c2nc3c(s2)cccc3)CSc2ccc(cc2)Cl)cc(c1O)OC

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Molecular Weight: 538.05
Empirical Formula: C26H20ClN3O4S2

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 6.443
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 137
Number of rings: 5

     

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