COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK149834
Chemical Name: 5-(4-fluorophenyl)-2-{[(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)amino]methylidene}cyclohexane-1,3-dione
Smiles: Fc1ccc(cc1)C1CC(=O)/C(=C/NCC2NCCc3c2cccc3)/C(=O)C1

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Molecular Weight: 378.45
Empirical Formula: C23H23FN2O2

Physical State: Dry powder
Available Amount: 327 mg

Lipinsky:
logP: 2.282
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 58
Number of rings: 4

     

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