COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK251531
Chemical Name: 2-{[5-(1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone
Smiles: CCn1c(SCC(=O)N2CCc3c(C2)cccc3)nnc1c1ccc2c(c1)OCO2

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Molecular Weight: 422.51
Empirical Formula: C22H22N4O3S

Physical State: Dry powder
Available Amount: 164 mg

Lipinsky:
logP: 4.4
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 94
Number of rings: 5

     

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