COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK064179
Chemical Name: 2-{[4-cyano-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)acetamide
Smiles: N#Cc1c(SCC(=O)NCC2COc3c(O2)cccc3)nc(c2c1CCCC2)c1ccc(cc1)C

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Molecular Weight: 485.61
Empirical Formula: C28H27N3O3S

Physical State: Dry powder
Available Amount: 389 mg

Lipinsky:
logP: 5.635
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 109
Number of rings: 5

     

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