COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK963280
Chemical Name: (4Z)-4-{[(2-methoxy-4-nitrophenyl)amino]methylidene}-5-methyl-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(ccc1N/C=C\1/C(=NN(C1=O)c1c(Cl)cc(cc1Cl)Cl)C)[N+](=O)[O-]

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Molecular Weight: 455.68
Empirical Formula: C18H13Cl3N4O4

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 4.695
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 3

     

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