COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK830095
Chemical Name: 3-{4-[(4-methoxyphenyl)carbonyl]piperazin-1-yl}-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: COc1ccc(cc1)C(=O)N1CCN(CC1)c1nc(c2ccccc2)c2c(c1C#N)CCCC2

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Molecular Weight: 452.56
Empirical Formula: C28H28N4O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.493
Rotatable bonds: 0
H-donors: 0
H-acceptors: 2
PSA: 69
Number of rings: 5

     

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