Molecule card · MolClass #48915
24837661
24837661: 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
- 24837661Mitochondrial Fusion · compound_name
- MolClass ID
- 48915
- InChIKey
- OFRXFLCNWAKYTQ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1ccccc1N2CCCCC2)c3cccc(c3)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C18H19N3O3/c22-18(14-7-6-8-15(13-14)21(23)24)19-16-9-2-3-10-17(16)20-11-4-1-5-12-20/h2-3,6-10,13H,1,4-5,11-12H2,(H,19,22)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]Nc2ccccc2N3CCCCC3
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
- 3
- 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
- 75.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.362 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.078
- 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 · 24837661