COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL484294
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-{[2-(4-nitrophenyl)hydrazinyl]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1N(N=C(/C/1=C\NNc1ccc(cc1)[N+](=O)[O-])C(F)(F)F)c1nc2c(s1)cccc2

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Molecular Weight: 448.39
Empirical Formula: C18H11F3N6O3S

Physical State: Dry powder
Available Amount: 30 mg

Lipinsky:
logP: 6.211
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 143
Number of rings: 4

     

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