COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK219810
Chemical Name: (4Z)-4-(4-butoxy-3-methoxybenzylidene)-2-(4-chlorophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCCOc1ccc(cc1OC)/C=C/1\C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)Cl

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Molecular Weight: 452.86
Empirical Formula: C22H20ClF3N2O3

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 7.582
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 51
Number of rings: 3

     

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