COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK053303
Chemical Name: 1-ethyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2)C)nc(c2c1CCCC2)CC

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Molecular Weight: 350.48
Empirical Formula: C21H22N2OS

Physical State: Dry powder
Available Amount: 412 mg

Lipinsky:
logP: 5.905
Rotatable bonds: 4
H-donors: 0
H-acceptors: 1
PSA: 79
Number of rings: 3

     

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