COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046866
Chemical Name: ethyl4-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-4-yl]ethylidene}amino)benzoate
Smiles: CCCC1=NN(C(=O)C1/C(=N/c1ccc(cc1)C(=O)OCC)/C)c1nc2c(s1)cccc2

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Molecular Weight: 448.55
Empirical Formula: C24H24N4O3S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 5.02
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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