COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK721176
Chemical Name: 3-oxo-1-(propan-2-yl)-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(=O)[nH]c(c2c1CCCC2)C(C)C

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Molecular Weight: 216.28
Empirical Formula: C13H16N2O

Physical State: Dry powder
Available Amount: 203 mg

Lipinsky:
logP: 2.198
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 52
Number of rings: 2

     

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