COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK206697
Chemical Name: methyl[(4Z)-1-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Smiles: COC(=O)CC1=NN(C(=O)/C/1=C(\O)/C)c1nc2c(s1)cccc2

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Saltdata: HCl
Molecular Weight: 331.35
Empirical Formula: C15H13N3O4S

Physical State: Dry powder
Available Amount: 158 mg

Lipinsky:
logP: 2.817
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 120
Number of rings: 3

     

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