COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK060850
Chemical Name: 1-ethyl-3-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2cc3ccccc3oc2=O)nc(c2c1CCCC2)CC

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Molecular Weight: 404.49
Empirical Formula: C23H20N2O3S

Physical State: Dry powder
Available Amount: 403 mg

Lipinsky:
logP: 5.448
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 105
Number of rings: 4

     

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