COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK868286
Chemical Name: 2-(1,3-benzothiazol-2-yl)-4-{(E)-[(3-methoxypropyl)imino]methyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: COCCC/N=C/c1c(=O)n([nH]c1C(F)(F)F)c1nc2c(s1)cccc2

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Molecular Weight: 384.38
Empirical Formula: C16H15F3N4O2S

Physical State: Dry powder
Available Amount: 418 mg

Lipinsky:
logP: 4.837
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 3

     

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