Molecule card · MolClass #48051
24797881
24797881: 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
- 24797881Mitochondrial Fusion · compound_name
- MolClass ID
- 48051
- InChIKey
- MLHUPLDNXQGEON-OVCLIPMQSA-N
- Canonical SMILES
- CCOc3cc(cc(C=C2NC(=O)N(Cc1ccccc1(F))C2(=O))c3(O))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C19H16FN3O6/c1-2-29-16-9-13(23(27)28)7-12(17(16)24)8-15-18(25)22(19(26)21-15)10-11-5-3-4-6-14(11)20/h3-9,24H,2,10H2,1H3,(H,21,26)/b15-8+
- Stored Murcko scaffold
- c1ccc(cc1)C=C2[CH]N([CH]N2)Cc3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 122.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 401.346 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.076
- 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 · 24797881