Molecule card · MolClass #46771
14735532
14735532: 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
- 14735532Mitochondrial Fusion · compound_name
- MolClass ID
- 46771
- InChIKey
- SFFJMNDQPRUWEK-UHFFFAOYSA-N
- Canonical SMILES
- CCOc3ccc(CCNC(=O)c1cc2ccccn2(n1))cc3(OCC)
- Standard InChI
- InChI=1S/C20H23N3O3/c1-3-25-18-9-8-15(13-19(18)26-4-2)10-11-21-20(24)17-14-16-7-5-6-12-23(16)22-17/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,21,24)
- Stored Murcko scaffold
- n1c([CH]NCCc2ccccc2)cc3ccccn13
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.
- 1987796#18258
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 353.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.179
- 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 · 14735532