COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK234749
Chemical Name: methyl[(4Z)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-hydroxyethyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Smiles: OCCN/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CC(=O)OC)/C

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Molecular Weight: 374.42
Empirical Formula: C17H18N4O4S

Physical State: Dry powder
Available Amount: 337 mg

Lipinsky:
logP: 2.533
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 132
Number of rings: 3

     

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