COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK044179
Chemical Name: 1-ethyl-3-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(SCC(=O)N2CCOCC2)nc(c2c1CCCC2)CC

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Molecular Weight: 345.47
Empirical Formula: C18H23N3O2S

Physical State: Dry powder
Available Amount: 343 mg

Lipinsky:
logP: 3.525
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 91
Number of rings: 3

     

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