3DX
3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
Find entries where: 3DX
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile |
| Identifiers | n/a |
| Formula | C22 H20 N6 |
| Molecular Weight | 368.434 |
| Type | NON-POLYMER |
| Isomeric SMILES | CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C#N |
| InChI | InChI=1S/C22H20N6/c1-27-6-8-28(9-7-27)18-4-2-15(3-5-18)16-10-20-19-11-17(12-23)24-14-21(19)26-22(20)25-13-16/h2-5,10-11,13-14H,6-9H2,1H3,(H,25,26) |
| InChIKey | PVRJSOWSQUNARV-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 48 |
| Chiral Atom Count | 0 |
| Bond Count | 52 |
| Aromatic Bond Count | 21 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL3359895 |
| PubChem | 44545901 |
| ChEMBL | CHEMBL3359895 |
