COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL431260
Chemical Name: 4-({(E)-[2-chloro-4-(dimethylamino)-5-nitrophenyl]methylidene}amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: Clc1cc(N(C)C)c(cc1/C=N/c1c(C)n(n(c1=O)c1ccccc1)C)[N+](=O)[O-]

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Molecular Weight: 413.86
Empirical Formula: C20H20ClN5O3

Physical State: Dry powder
Available Amount: 123 mg

Lipinsky:
logP: 3.533
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 84
Number of rings: 3

     

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