Molecule card · MolClass #44396
24810984
24810984: 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
- 24810984Mitochondrial Fusion · compound_name
- MolClass ID
- 44396
- InChIKey
- IJOXZDVXUCYFAJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C2c3ccc(cc3(C(=O)N2(CNc1ccccn1)))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C14H10N4O4/c19-13-10-5-4-9(18(21)22)7-11(10)14(20)17(13)8-16-12-3-1-2-6-15-12/h1-7H,8H2,(H,15,16)
- Stored Murcko scaffold
- n1ccccc1NCn2cc3ccccc3c2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 105.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.254 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.097
- 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 · 24810984