COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK778270
Chemical Name: 2-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-hydroxycyclohex-2-en-1-one
Smiles: COc1cc2CCN(C(c2cc1OC)C1=C(O)CCCC1=O)C(=O)C

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Molecular Weight: 345.4
Empirical Formula: C19H23NO5

Physical State: Dry powder
Available Amount: 62 mg

Lipinsky:
logP: 2.061
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 76
Number of rings: 3

     

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