COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565207
Chemical Name: 2-(2-hydroxy-3-phenoxypropyl)-6,7-dimethoxy-3,3-dimethyl-2,3-dihydroisoquinolin-4(1H)-one
Smiles: COc1cc2CN(CC(COc3ccccc3)O)C(C(=O)c2cc1OC)(C)C

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Saltdata: HCl
Molecular Weight: 385.46
Empirical Formula: C22H27NO5

Physical State: Dry powder
Available Amount: 11 mg

Lipinsky:
logP: 4.43
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 68
Number of rings: 3

     

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