COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK149814
Chemical Name: N-{(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-beta-alanine
Smiles: OC(=O)CCN/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/C

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Molecular Weight: 398.37
Empirical Formula: C16H13F3N4O3S

Physical State: Dry powder
Available Amount: 66 mg

Lipinsky:
logP: 4.538
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 123
Number of rings: 3

     

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