COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK189813
Chemical Name: methyl{(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(benzylamino)ethylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate
Smiles: COC(=O)CC1=NN(C(=O)/C/1=C(/NCc1ccccc1)\C)c1nc2c(s1)cccc2

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Molecular Weight: 420.49
Empirical Formula: C22H20N4O3S

Physical State: Dry powder
Available Amount: 415 mg

Lipinsky:
logP: 4.692
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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