22T
7-chloranyl-6-[(3S)-pyrrolidin-3-yl]oxy-2H-isoquinolin-1-one
Find entries where: 22T
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 7-chloranyl-6-[(3S)-pyrrolidin-3-yl]oxy-2H-isoquinolin-1-one |
| Identifiers | 7-chloranyl-6-[(3S)-pyrrolidin-3-yl]oxy-2H-isoquinolin-1-one |
| Formula | C13 H13 Cl N2 O2 |
| Molecular Weight | 264.708 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1c2c(cc(c1O[C@H]3CCNC3)Cl)C(=O)NC=C2 |
| InChI | InChI=1S/C13H13ClN2O2/c14-11-6-10-8(1-4-16-13(10)17)5-12(11)18-9-2-3-15-7-9/h1,4-6,9,15H,2-3,7H2,(H,16,17)/t9-/m0/s1 |
| InChIKey | CHDOJNHHXLLFJK-VIFPVBQESA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 31 |
| Chiral Atom Count | 1 |
| Bond Count | 33 |
| Aromatic Bond Count | 6 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 59229792 |
| ChEMBL | CHEMBL2391620 |
