COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK458604
Chemical Name: 1-[3,5-dimethyl-1-(pentafluorobenzyl)-1H-pyrazol-4-yl]-3-(2-methoxy-4-nitrophenyl)thiourea
Smiles: COc1cc(ccc1NC(=S)Nc1c(C)nn(c1C)Cc1c(F)c(F)c(c(c1F)F)F)[N+](=O)[O-]

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Molecular Weight: 501.44
Empirical Formula: C20H16F5N5O3S

Physical State: Dry powder
Available Amount: 356 mg

Lipinsky:
logP: 4.103
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 129
Number of rings: 3

     

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