COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK673362
Chemical Name: N-[(4Z)-4-[4-(diethylamino)benzylidene]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-nitrobenzamide
Smiles: CCN(c1ccc(cc1)/C=C\1/C(=NN(C1=O)c1c(Cl)cc(cc1Cl)Cl)NC(=O)c1cccc(c1)[N+](=O)[O-])CC

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Molecular Weight: 586.86
Empirical Formula: C27H22Cl3N5O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.805
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 110
Number of rings: 4

     

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