COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK036692
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C\c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c1nc2c(s1)cccc2

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Molecular Weight: 590.21
Empirical Formula: C32H32ClN3O2S2

Physical State: Dry powder
Available Amount: 479 mg

Lipinsky:
logP: 10.41
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 119
Number of rings: 5

     

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