| BioID | bio2334 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1215592 |
|---|
| Molecular Formula | C17H31F3N2O6 |
|---|
| Molecular Weight | 416.44 |
|---|
| Molecular Weight (Monoisotopic) | 302.2206 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | Methyl 3-{[9-(Dimethylamino)Nonanoyl](Methoxy)Amino}Propanoate |
|---|
| Smiles | CNCCCCCCCCC(=O)N(CCC(=O)OC)OC.O=C(O)C(F)(F)F |
|---|
| Inchi | InChI=1S/C15H30N2O4.C2HF3O2/c1-16-12-9-7-5-4-6-8-10-14(18)17(21-3)13-11-15(19)20-2;3-2(4,5)1(6)7/h16H,4-13H2,1-3H3;(H,6,7) |
|---|
| Inchi Key | IINJFUFQWARTSO-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 5.0 |
|---|
| Np Likeness Score | -0.09 |
|---|
| Records Key | ['18'] |
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| Records Name | ['Methyl 3-{[9-(Dimethylamino)nonanoyl](methoxy)amino}propanoate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
