COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK379102
Chemical Name: (4E)-4-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc2c(c1)n(CC)/c(=C\1/C(=NN(C1=O)c1ccccc1)C)/s2

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Molecular Weight: 365.46
Empirical Formula: C20H19N3O2S

Physical State: Dry powder
Available Amount: 1027 mg

Lipinsky:
logP: 1.742
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 70
Number of rings: 4

     

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