M54
6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
Find entries where: M54
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one |
| Identifiers | 6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one |
| Formula | C25 H22 N4 O2 |
| Molecular Weight | 410.468 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1cc(cc(c1)O)C2=CNC(=O)c3c2cc(c4c3cc(cc4)c5c[nH]nc5)CCCN |
| InChI | InChI=1S/C25H22N4O2/c26-8-2-4-17-11-22-23(16-3-1-5-19(30)9-16)14-27-25(31)24(22)21-10-15(6-7-20(17)21)18-12-28-29-13-18/h1,3,5-7,9-14,30H,2,4,8,26H2,(H,27,31)(H,28,29) |
| InChIKey | BUSJQQYKXHYDNN-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 53 |
| Chiral Atom Count | 0 |
| Bond Count | 57 |
| Aromatic Bond Count | 23 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL249441 |
| PubChem | 16758227 |
| ChEMBL | CHEMBL249441 |
