Molecule card · MolClass #48405
22401983
22401983: 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
- 22401983Mitochondrial Fusion · compound_name
- MolClass ID
- 48405
- InChIKey
- FHYOYRGPXCHVBV-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(O)ccc2(NC1=CC(=O)CC(C)(C)C1)
- Standard InChI
- InChI=1S/C15H19NO2/c1-10-6-12(17)4-5-14(10)16-11-7-13(18)9-15(2,3)8-11/h4-7,16-17H,8-9H2,1-3H3
- Stored Murcko scaffold
- c1ccc(cc1)NC2=C[CH]CCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 245.317 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.733
- 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 · 22401983