COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK603739
Chemical Name: 1-butyl-3-[4-(phenylcarbonyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: CCCCc1nc(N2CCN(CC2)C(=O)c2ccccc2)c(c2c1CCCC2)C#N

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Molecular Weight: 402.54
Empirical Formula: C25H30N4O

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.236
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 60
Number of rings: 4

     

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