| PDB CCD ID: | XHO |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C24 H33 N3 O4 |
| InChI: | InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)/t20-/m1/s1 |
| InChIKey: | XKLMZUWKNUAPSZ-HXUWFJFHSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | Cc1cccc(c1NC(=O)CN2CCN(CC2)CC(COc3ccccc3OC)O)C | | OpenEye OEToolkits 2.0.7 | Cc1cccc(c1NC(=O)CN2CCN(CC2)C[C@H](COc3ccccc3OC)O)C | | CACTVS 3.385 | COc1ccccc1OC[C@H](O)CN2CCN(CC2)CC(=O)Nc3c(C)cccc3C | | CACTVS 3.385 | COc1ccccc1OC[CH](O)CN2CCN(CC2)CC(=O)Nc3c(C)cccc3C | | ACDLabs 12.01 | OC(CN1CCN(CC1)CC(=O)Nc1c(C)cccc1C)COc1ccccc1OC |
|
| Name: | (R)-ranolazine;
N-(2,6-dimethylphenyl)-2-{4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide |
| ChEMBL: | CHEMBL1357016 |
| ZINC: | ZINC000095619101 |
zhanggroup.org