| PDB CCD ID: | LUI |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C22 H25 N3 O3 |
| InChI: | InChI=1S/C22H25N3O3/c1-14(2)12-25-19(11-23)21(15-6-4-3-5-7-15)18-10-16(28-13-20(24)26)8-9-17(18)22(25)27/h3-10,14H,11-13,23H2,1-2H3,(H2,24,26) |
| InChIKey: | GODOFGUHKFCHSR-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | CC(C)CN1C(=C(c2cc(ccc2C1=O)OCC(=O)N)c3ccccc3)CN | | CACTVS 3.370 | CC(C)CN1C(=O)c2ccc(OCC(N)=O)cc2C(=C1CN)c3ccccc3 | | ACDLabs 12.01 | O=C(N)COc3ccc1c(C(=C(N(C1=O)CC(C)C)CN)c2ccccc2)c3 |
|
| Name: | 2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide;
TAK-285 |
| ChEMBL: | CHEMBL1851820 |
| ZINC: | ZINC000034575872 |
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