Molecule card · MolClass #48957
24831548
24831548: 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
- 24831548Mitochondrial Fusion · compound_name
- MolClass ID
- 48957
- InChIKey
- NSXMQMFKXJXGGX-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NCC(c1ccco1)N2CCCCC2)c3ccc(cc3)OCc4ccccc4
- Standard InChI
- InChI=1S/C25H28N2O3/c28-25(21-11-13-22(14-12-21)30-19-20-8-3-1-4-9-20)26-18-23(24-10-7-17-29-24)27-15-5-2-6-16-27/h1,3-4,7-14,17,23H,2,5-6,15-16,18-19H2,(H,26,28)
- Stored Murcko scaffold
- o1cccc1C(N2CCCCC2)CN[CH]c3ccc(OCc4ccccc4)cc3
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
- 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
- 54.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 404.502 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.279
- 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 · 24831548