Molecule card · MolClass #45786
24790251
24790251: 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
- 24790251Mitochondrial Fusion · compound_name
- MolClass ID
- 45786
- InChIKey
- OTWKFKPJGPWHDP-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cccc(NCc1ccc(O)c2ncccc12)c3(C)
- Standard InChI
- InChI=1S/C18H18N2O/c1-12-5-3-7-16(13(12)2)20-11-14-8-9-17(21)18-15(14)6-4-10-19-18/h3-10,20-21H,11H2,1-2H3
- Stored Murcko scaffold
- n1cccc2c1cccc2CNc3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 278.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.738
- 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 · 24790251