COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK380684
Chemical Name: 4-({4-[(1E)-2-cyano-3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxoprop-1-en-1-yl]phenoxy}methyl)benzonitrile
Smiles: N#C/C(=C\c1ccc(cc1)OCc1ccc(cc1)C#N)/C(=O)N1CCc2c(C1)cccc2

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Molecular Weight: 419.48
Empirical Formula: C27H21N3O2

Physical State: Dry powder
Available Amount: 231 mg

Lipinsky:
logP: 4.368
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 77
Number of rings: 4

     

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