TM3
2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1H-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol
Find entries where: TM3
is present as a standalone ligand in 2 entries
Chemical Component Summary | |
|---|---|
| Name | 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1H-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol |
| Synonyms | TMC353121 |
| Identifiers | 2-[[6-[[[2-(3-hydroxypropyl)-5-methyl-phenyl]amino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol |
| Formula | C32 H42 N6 O3 |
| Molecular Weight | 558.714 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cc1ccc(c(c1)NCc2ccc3c(c2)n(c(n3)NCCCN4CCOCC4)Cc5c(ccc(n5)C)O)CCCO |
| InChI | InChI=1S/C32H42N6O3/c1-23-6-9-26(5-3-16-39)28(19-23)34-21-25-8-10-27-30(20-25)38(22-29-31(40)11-7-24(2)35-29)32(36-27)33-12-4-13-37-14-17-41-18-15-37/h6-11,19-20,34,39-40H,3-5,12-18,21-22H2,1-2H3,(H,33,36) |
| InChIKey | DKORMNNYNRPTBJ-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 83 |
| Chiral Atom Count | 0 |
| Bond Count | 87 |
| Aromatic Bond Count | 22 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 11249932 |
| ChEMBL | CHEMBL408963 |
