Molecule card · MolClass #48306
17403359
17403359: 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
- 17403359Mitochondrial Fusion · compound_name
- MolClass ID
- 48306
- InChIKey
- JAOZAISFSFYQKX-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C2(C#N)(CC[N+](C)(C)CC2)
- Standard InChI
- InChI=1S/C15H21N2O/c1-17(2)10-8-15(12-16,9-11-17)13-4-6-14(18-3)7-5-13/h4-7H,8-11H2,1-3H3/q+1
- Stored Murcko scaffold
- c1ccc(cc1)C2CC[NH2+]CC2
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 33.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 245.341 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.721
- 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.
Mitochondrial Fusion
Dataset #19 · 17403359