Molecule card · MolClass #49630
24789156
24789156: 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
- 24789156Mitochondrial Fusion · compound_name
- MolClass ID
- 49630
- InChIKey
- FREOXDKIGUGACF-UHFFFAOYSA-N
- Canonical SMILES
- N=C(NOC(=O)c2cc(nc1ccccc12)c3ccccc3)c4ccccn4
- Standard InChI
- InChI=1S/C22H16N4O2/c23-21(19-12-6-7-13-24-19)26-28-22(27)17-14-20(15-8-2-1-3-9-15)25-18-11-5-4-10-16(17)18/h1-14H,(H2,23,26)
- Stored Murcko scaffold
- n1ccccc1[CH]NO[CH]c2cc(nc3ccccc32)-c4ccccc4
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
- 4
- 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
- 87.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 368.389 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.914
- 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 · 24789156