| PDB CCD ID: | 4CD |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H18 Cl N O3 |
| InChI: | InChI=1S/C18H18ClNO3/c1-11-5-2-3-6-12(11)15-7-4-8-20(15)18(23)13-9-14(19)17(22)10-16(13)21/h2-3,5-6,9-10,15,21-22H,4,7-8H2,1H3/t15-/m1/s1 |
| InChIKey: | SOMWPEIBCBZHBS-OAHLLOKOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | Cc1ccccc1C2CCCN2C(=O)c3cc(c(cc3O)O)Cl | | ACDLabs 11.02 | O=C(c1cc(Cl)c(O)cc1O)N3C(c2c(cccc2)C)CCC3 | | OpenEye OEToolkits 1.7.0 | Cc1ccccc1[C@H]2CCCN2C(=O)c3cc(c(cc3O)O)Cl | | CACTVS 3.352 | Cc1ccccc1[CH]2CCCN2C(=O)c3cc(Cl)c(O)cc3O | | CACTVS 3.352 | Cc1ccccc1[C@H]2CCCN2C(=O)c3cc(Cl)c(O)cc3O |
|
| Name: | 4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol |
| ChEMBL: | CHEMBL568632 |
| ZINC: | ZINC000040380352 |
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