Molecule card · MolClass #45686
856247
856247: 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
- 856247Mitochondrial Fusion · compound_name
- MolClass ID
- 45686
- InChIKey
- ONDFYQDVUMAHPE-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nn(c1ccccc1)c3CC(C)(C)C(=O)NC(=O)c23
- Standard InChI
- InChI=1S/C16H17N3O2/c1-10-13-12(9-16(2,3)15(21)17-14(13)20)19(18-10)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,17,20,21)
- Stored Murcko scaffold
- n1cc2[CH]N[CH]CCc2n1-c3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.326 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.03
- 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 · 856247