COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK741748
Chemical Name: ethyl4-{(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/C

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Molecular Weight: 467.47
Empirical Formula: C20H20F3N5O3S

Physical State: Dry powder
Available Amount: 494 mg

Lipinsky:
logP: 5.16
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 106
Number of rings: 4

     

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