COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK090273
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(3,4,5-trimethoxybenzylidene)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(/C=C\2/C(=NN(C2=O)c2nc3c(s2)cccc3)CSc2ccc(cc2)Cl)cc(c1OC)OC

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Molecular Weight: 552.07
Empirical Formula: C27H22ClN3O4S2

Physical State: Dry powder
Available Amount: 87 mg

Lipinsky:
logP: 7.159
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 126
Number of rings: 5

     

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