Molecule card · MolClass #1569
Scopolamin-N-oxide hydrobromide
Scopolamin-N-oxide hydrobromide: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- Scopolamin-N-oxide hydrobromideFlucanozole Synergizer · compound_name
- MolClass ID
- 1569
- InChIKey
- GSYQNAMOFFWAPF-PPOBMCMBSA-N
- Canonical SMILES
- C[N+]3([O-])(C1CC(CC3(C2OC12))OC(=O)C(CO)c4ccccc4)
- Standard InChI
- InChI=1S/C17H21NO5/c1-18(21)13-7-11(8-14(18)16-15(13)23-16)22-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+,18?/m1/s1
- Stored Murcko scaffold
- O([CH]Cc1ccccc1)C2CC3[NH2+]C(C2)C4OC43
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.353 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.105
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Flucanozole Synergizer
Dataset #3 · Scopolamin-N-oxide hydrobromide