COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK206729
Chemical Name: 3-{[(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]amino}-5,5-dimethylcyclohex-2-en-1-one
Smiles: O=C1C=C(NCC2N(CCc3c2cccc3)C(=O)C)CC(C1)(C)C

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Molecular Weight: 326.44
Empirical Formula: C20H26N2O2

Physical State: Dry powder
Available Amount: 147 mg

Lipinsky:
logP: 2.683
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 49
Number of rings: 3

     

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