COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK045137
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(4-ethoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1ccc(cc1)/C=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C

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Molecular Weight: 485.63
Empirical Formula: C27H23N3O2S2

Physical State: Dry powder
Available Amount: 355 mg

Lipinsky:
logP: 7.482
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 108
Number of rings: 5

     

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