Bioactive Compound Details
| BioID | bio17910 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL3234420 |
| Molecular Formula | C28H36N4O4 |
| Molecular Weight | 492.62 |
| Molecular Weight (Monoisotopic) | 492.2737 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar29 |
| Target Name | IBD3 |
| Synonyms | None |
| Smiles | COCCn1c(C(=O)OC)c(NC(=O)Cc2ccccc2)c2cc(NC3CCCCCCC3)cnc21 |
| Inchi | InChI=1S/C28H36N4O4/c1-35-16-15-32-26(28(34)36-2)25(31-24(33)17-20-11-7-6-8-12-20)23-18-22(19-29-27(23)32)30-21-13-9-4-3-5-10-14-21/h6-8,11-12,18-19,21,30H,3-5,9-10,13-17H2,1-2H3,(H,31,33) |
| Inchi Key | SBMUSVUNEJRRMX-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | -1.45 |
| Records Key | ['IND3'] |
| Records Name | ['methyl 5-(cyclooctylamino)-1-(2-methoxyethyl)-3-(2-phenylacetamido)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
