Molecule card · MolClass #43867
24796606
24796606: 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
- 24796606Mitochondrial Fusion · compound_name
- MolClass ID
- 43867
- InChIKey
- AMFKDDWXRFKJKT-UHFFFAOYSA-N
- Canonical SMILES
- CCN2C(=O)CC(=Nc1ccccc12)c3cccnc3
- Standard InChI
- InChI=1S/C16H15N3O/c1-2-19-15-8-4-3-7-13(15)18-14(10-16(19)20)12-6-5-9-17-11-12/h3-9,11H,2,10H2,1H3
- Stored Murcko scaffold
- n1cccc(c1)C2=Nc3ccccc3[N][CH]C2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.31 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.405
- 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 · 24796606