3DW
3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid
Find entries where: 3DW
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-carboxylic acid |
| Identifiers | n/a |
| Formula | C22 H21 N5 O2 |
| Molecular Weight | 387.434 |
| Type | NON-POLYMER |
| Isomeric SMILES | CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C(=O)O |
| InChI | InChI=1S/C22H21N5O2/c1-26-6-8-27(9-7-26)16-4-2-14(3-5-16)15-10-18-17-11-19(22(28)29)23-13-20(17)25-21(18)24-12-15/h2-5,10-13H,6-9H2,1H3,(H,24,25)(H,28,29) |
| InChIKey | AVGXCPYDUVBUKP-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 50 |
| Chiral Atom Count | 0 |
| Bond Count | 54 |
| Aromatic Bond Count | 21 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL3359893 |
| PubChem | 58266559 |
| ChEMBL | CHEMBL3359893 |
