[(8Bs)-4,8B-Dimethyl-3-(Methylcarbamoyl)-2,3A-Dihydro-1H-Pyrrolo[2,3-B]Indol-7-Yl] N-Methylcarbamate
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL77799 | |
| PubChem: | 3083935 | |
| IUPAC: | [(8bS)-4,8b-dimethyl-3-(methylcarbamoyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate | |
| Standard InChI: | InChI=1S/C16H22N4O3/c1-16-7-8-20(14(21)17-2)13(16)19(4)12-6-5-10(9-11(12)16)23-15(22)18-3/h5-6,9,13H,7-8H2,1-4H3,(H,17,21)(H,18,22)/t13?,16-/m0/s1 | |
| Standard InChI Key: | PYEMNABYODPRPP-VYIIXAMBSA-N | |
| SMILES: | CN=C(Oc1ccc2c(c1)[C@]1(C)CCN(C1N2C)C(=NC)O)O | |
Molecular propeties
| ||
| AlogP: | 1.48 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 318.17 | |
| Topological polar surface area: | 73.9 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|