COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK609338
Chemical Name: 3-(4-butanoylpiperazin-1-yl)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: CCCC(=O)N1CCN(CC1)c1nc(C)c2c(c1C#N)CCCC2

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Molecular Weight: 326.44
Empirical Formula: C19H26N4O

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 2.997
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 60
Number of rings: 3

     

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