COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK256746
Chemical Name: 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: O=C(N1CCc2c(C1)cccc2)CSc1nnc(n1C)COc1ccccc1

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Molecular Weight: 394.5
Empirical Formula: C21H22N4O2S

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 3.884
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 85
Number of rings: 4

     

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