COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK741956
Chemical Name: (4Z)-4-{[(3-fluorophenyl)amino]methylidene}-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Fc1cccc(c1)N/C=C/1\C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 394.29
Empirical Formula: C17H10F4N4O3

Physical State: Dry powder
Available Amount: 52 mg

Lipinsky:
logP: 4.922
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 3

     

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