Molecule card · MolClass #52478
849420
849420: 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
- 849420Mitochondrial Fusion · compound_name
- MolClass ID
- 52478
- InChIKey
- KGOLPQAFAPSHSH-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NN2C(=O)c3ccccc3(N=C2(c1ccccc1)))C4CCC4
- Standard InChI
- InChI=1S/C19H17N3O2/c23-18(14-9-6-10-14)21-22-17(13-7-2-1-3-8-13)20-16-12-5-4-11-15(16)19(22)24/h1-5,7-8,11-12,14H,6,9-10H2,(H,21,23)
- Stored Murcko scaffold
- N=1c2ccccc2[CH]N(N[CH]C3CCC3)C1c4ccccc4
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
- 61.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.358 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.626
- 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 · 849420