COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK957908
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-nitrophenyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC/C(=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 461.42
Empirical Formula: C20H14F3N5O3S

Physical State: Dry powder
Available Amount: 20 mg

Lipinsky:
logP: 7.067
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 131
Number of rings: 4

     

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