COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK314804
Chemical Name: 1-[4-(3-bromobenzyl)piperazin-1-yl]-2-{[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethanone
Smiles: CCn1cc(c(n1)C)c1nc(SCC(=O)N2CCN(CC2)Cc2cccc(c2)Br)nc(c1)C(F)(F)F

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Saltdata: HCl
Molecular Weight: 583.48
Empirical Formula: C24H26BrF3N6OS

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 5.28
Rotatable bonds: 6
H-donors: 0
H-acceptors: 1
PSA: 92
Number of rings: 4

     

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