| PDB CCD ID: | TVO |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H18 N2 O |
| InChI: | InChI=1S/C13H18N2O/c16-13-8-14-7-12(13)15-6-5-10-3-1-2-4-11(10)9-15/h1-4,12-14,16H,5-9H2/t12-,13-/m1/s1 |
| InChIKey: | YOMLWJZQKDDDDV-CHWSQXEVSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)CCN(C2)[C@@H]3CNC[C@H]3O | | CACTVS 3.385 | O[C@@H]1CNC[C@H]1N2CCc3ccccc3C2 | | CACTVS 3.385 | O[CH]1CNC[CH]1N2CCc3ccccc3C2 | | OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)CCN(C2)C3CNCC3O |
|
| Name: | (3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol |
| ZINC: | ZINC000223530144 |
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