COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295255
Chemical Name: 4-({(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-nitrobenzoicacid
Smiles: Clc1ccc(cc1)N1N=C(/C(=C\Nc2ccc(cc2[N+](=O)[O-])C(=O)O)/C1=O)C

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Molecular Weight: 400.78
Empirical Formula: C18H13ClN4O5

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: 3.367
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 127
Number of rings: 3

     

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