COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK721207
Chemical Name: 3-{4-[(4-nitrophenyl)carbonyl]piperazin-1-yl}-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(nc(c2c1CCCC2)c1ccccc1)N1CCN(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 467.53
Empirical Formula: C27H25N5O3

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 3.929
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 106
Number of rings: 5

     

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