COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK206740
Chemical Name: (4E)-4-{[(2-chlorobenzyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C/NCc1ccccc1Cl)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 370.79
Empirical Formula: C18H15ClN4O3

Physical State: Dry powder
Available Amount: 146 mg

Lipinsky:
logP: 3.077
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 3

     

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