COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL314535
Chemical Name: 6-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-hydroxy-1-methyl-2-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-4(1H)-one
Smiles: O=c1cc(CN2CCc3c(C2)cccc3)n(c(c1O)CN1CCN(CC1)S(=O)(=O)C)C

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Molecular Weight: 446.57
Empirical Formula: C22H30N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.146
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 92
Number of rings: 4

     

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