Molecule card · MolClass #47623
22410114
22410114: 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
- 22410114Mitochondrial Fusion · compound_name
- MolClass ID
- 47623
- InChIKey
- SWFUKDURISQBEP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)Nc4nc5ccccc5(nc4(NC3=C(C)N(C)N(c2ccccc2)C3(=O)))
- Standard InChI
- InChI=1S/C26H24N6O/c1-17-13-15-19(16-14-17)27-24-25(29-22-12-8-7-11-21(22)28-24)30-23-18(2)31(3)32(26(23)33)20-9-5-4-6-10-20/h4-16H,1-3H3,(H,27,28)(H,29,30)
- Stored Murcko scaffold
- n1c2ccccc2nc(NC3=CNN([CH]3)c4ccccc4)c1Nc5ccccc5
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 436.509 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.332
- 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 · 22410114