COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL444543
Chemical Name: ethyl4-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate
Smiles: CCCC1=NN(C(=O)/C/1=C(/Nc1ccc(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: 32 mg

Lipinsky:
logP: 5.59
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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