COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK612488
Chemical Name: 1-ethyl-3-[(1-hydroxybutan-2-yl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: CCC(Nc1nc(CC)c2c(c1C#N)CCCC2)CO

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Molecular Weight: 273.38
Empirical Formula: C16H23N3O

Physical State: Dry powder
Available Amount: 330 mg

Lipinsky:
logP: 3.967
Rotatable bonds: 5
H-donors: 2
H-acceptors: 1
PSA: 68
Number of rings: 2

     

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