COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL432528
Chemical Name: (4Z)-2-(4-chlorophenyl)-4-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)N1N=C(/C(=C/c2ccc(o2)c2cccc(c2)[N+](=O)[O-])/C1=O)C(F)(F)F

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Molecular Weight: 461.78
Empirical Formula: C21H11ClF3N3O4

Physical State: Dry powder
Available Amount: 87 mg

Lipinsky:
logP: 7.101
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 91
Number of rings: 4

     

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