COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562552
Chemical Name: 1-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(3,4-dimethoxyphenyl)ethanimidoyl]-3-(trifluoromethyl)-1H-pyrazol-5-ol
Smiles: COc1cc(ccc1OC)/N=C(/c1c(O)n(nc1C(F)(F)F)c1nc2c(s1)cccc2)\C

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Molecular Weight: 462.45
Empirical Formula: C21H17F3N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.682
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 110
Number of rings: 4

     

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