COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK451050
Chemical Name: N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide
Smiles: O=C(c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)Nc1c(C)nn(c1C)Cc1ccccc1Cl

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Molecular Weight: 443.85
Empirical Formula: C20H18ClN5O5

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 4.356
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 138
Number of rings: 3

     

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