Molecule card · MolClass #37366
863500
863500: 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
- 863500Mitochondrial Fusion · compound_name
- MolClass ID
- 37366
- InChIKey
- IRWOJCAOZNYVRF-MDZDMXLPSA-N
- Canonical SMILES
- CC4(C)(c1ccccc1N3CC(=O)NC34(C=Cc2ccco2))
- Standard InChI
- InChI=1S/C18H18N2O2/c1-17(2)14-7-3-4-8-15(14)20-12-16(21)19-18(17,20)10-9-13-6-5-11-22-13/h3-11H,12H2,1-2H3,(H,19,21)/b10-9+
- Stored Murcko scaffold
- o1cccc1C=CC23N[CH]CN3c4ccccc4C2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.348 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.592
- 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 · 863500