COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK206726
Chemical Name: 2-({[(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]amino}methylidene)-5-(4-fluorophenyl)cyclohexane-1,3-dione
Smiles: Fc1ccc(cc1)C1CC(=O)/C(=C/NCC2N(CCc3c2cccc3)C(=O)C)/C(=O)C1

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Molecular Weight: 420.48
Empirical Formula: C25H25FN2O3

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 2.492
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 66
Number of rings: 4

     

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