COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK456402
Chemical Name: 1-(1,3-benzodioxol-5-yl)-3-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]thiourea
Smiles: S=C(Nc1c(C)nn(c1C)Cc1c(F)cccc1Cl)Nc1ccc2c(c1)OCO2

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Molecular Weight: 432.91
Empirical Formula: C20H18ClFN4O2S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 3.671
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 92
Number of rings: 4

     

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