A53
5-{5-[(S)-2-AMINO-3-(1H-INDOL-3-YL)-PROPOXYL]-PYRIDIN-3-YL}-3-[1-(1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE
Find entries where: A53
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 5-{5-[(S)-2-AMINO-3-(1H-INDOL-3-YL)-PROPOXYL]-PYRIDIN-3-YL}-3-[1-(1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE |
| Identifiers | (3Z)-5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one |
| Formula | C29 H25 N5 O2 |
| Molecular Weight | 475.541 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cc(cnc3)c4ccc5c(c4)/C(=C/c6ccc[nH]6)/C(=O)N5)N |
| InChI | InChI=1S/C29H25N5O2/c30-21(10-20-15-33-27-6-2-1-5-24(20)27)17-36-23-11-19(14-31-16-23)18-7-8-28-25(12-18)26(29(35)34-28)13-22-4-3-9-32-22/h1-9,11-16,21,32-33H,10,17,30H2,(H,34,35)/b26-13-/t21-/m0/s1 |
| InChIKey | DQMKXCKXZQEVJU-VHLXNKDGSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 61 |
| Chiral Atom Count | 1 |
| Bond Count | 66 |
| Aromatic Bond Count | 28 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 10310919 |
| ChEMBL | CHEMBL1230726 |
