COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK458431
Chemical Name: 1-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-(4-nitrophenyl)thiourea
Smiles: S=C(Nc1c(C)nn(c1C)Cc1c(F)cccc1Cl)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 433.89
Empirical Formula: C19H17ClFN5O2S

Physical State: Dry powder
Available Amount: 404 mg

Lipinsky:
logP: 3.923
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 119
Number of rings: 3

     

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