|
| Ligand ID | H92 |
| InChI | InChI=1S/C18H18FN3O/c19-17-15(10-1-3-11(4-2-10)18(20)23)7-12(9-21-17)14-8-13-5-6-16(14)22-13/h1-4,7,9,13-14,16,22H,5-6,8H2,(H2,20,23)/t13-,14+,16+/m0/s1 |
| InChIKey | QGEMISSKSNIODJ-SQWLQELKSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc(ccc1c2cc(cnc2F)C3CC4CCC3N4)C(=O)N | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4)C(=O)N | | CACTVS 3.385 | NC(=O)c1ccc(cc1)c2cc(cnc2F)[CH]3C[CH]4CC[CH]3N4 | | CACTVS 3.385 | NC(=O)c1ccc(cc1)c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4 |
|
| Formula | C18 H18 F N3 O |
| Name | 4-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 6qkk Chain E Residue 302
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
