COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL431327
Chemical Name: ethyl4-[(4Z)-4-{4-[(2-chloroethyl)(methyl)amino]benzylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Smiles: ClCCN(c1ccc(cc1)/C=C/1\C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)C(=O)OCC)C

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Molecular Weight: 479.89
Empirical Formula: C23H21ClF3N3O3

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 6.868
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 62
Number of rings: 3

     

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