COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL485483
Chemical Name: (5E)-5-[1-({[2-hexyl-1-oxo-3-(pyridin-2-yl)-1,2,3,4-tetrahydroisoquinolin-4-yl]methyl}amino)ethylidene]-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCCCCCN1C(=O)c2ccccc2C(C1c1ccccn1)CN/C(=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)C)/C

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Molecular Weight: 579.7
Empirical Formula: C34H37N5O4

Physical State: Dry powder
Available Amount: 15 mg

Lipinsky:
logP: 4.565
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 111
Number of rings: 5

     

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