COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK487588
Chemical Name: 1-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-3-(2-methoxy-4-nitrophenyl)urea
Smiles: COc1cc(ccc1NC(=O)Nc1c(C)nn(c1C)Cc1ccc(cc1)C)[N+](=O)[O-]

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Molecular Weight: 409.44
Empirical Formula: C21H23N5O4

Physical State: Dry powder
Available Amount: 317 mg

Lipinsky:
logP: 5.063
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 114
Number of rings: 3

     

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