COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK081808
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(1-ethoxypropylidene)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCO/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)/CC

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Saltdata: HCl
Molecular Weight: 458
Empirical Formula: C22H20ClN3O2S2

Physical State: Dry powder
Available Amount: 52 mg

Lipinsky:
logP: 7.048
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 108
Number of rings: 4

     

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