COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK056374
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(3-fluorophenyl)amino]ethylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCC1=NN(C(=O)/C/1=C(/Nc1cccc(c1)F)\C)c1nc2c(s1)cccc2

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Molecular Weight: 394.47
Empirical Formula: C21H19FN4OS

Physical State: Dry powder
Available Amount: 538 mg

Lipinsky:
logP: 5.135
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 4

     

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