Molecule card · MolClass #42259
14745655
14745655: 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
- 14745655Mitochondrial Fusion · compound_name
- MolClass ID
- 42259
- InChIKey
- RMFUZWDYVHLCRD-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1ccc2OCOc2(c1))c3ccc[n+]([O-])c3
- Standard InChI
- InChI=1S/C13H10N2O4/c16-13(9-2-1-5-15(17)7-9)14-10-3-4-11-12(6-10)19-8-18-11/h1-7H,8H2,(H,14,16)
- Stored Murcko scaffold
- O1c2ccc(cc2OC1)N[CH]c3ccc[nH+]c3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 258.23 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.795
- 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 · 14745655