COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK493469
Chemical Name: 1-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-(2-methoxy-4-nitrophenyl)urea
Smiles: COc1cc(ccc1NC(=O)Nc1c(C)nn(c1C)Cc1ccc(cc1Cl)Cl)[N+](=O)[O-]

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Molecular Weight: 464.31
Empirical Formula: C20H19Cl2N5O4

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 5.806
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 114
Number of rings: 3

     

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