Molecule card · MolClass #48559
24707977
24707977: 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
- 24707977Mitochondrial Fusion · compound_name
- MolClass ID
- 48559
- InChIKey
- VQDSFRHUNMDDMH-UHFFFAOYSA-N
- Canonical SMILES
- CNC(=O)C2(C)(C=CCN2(C(=O)c1ccccc1))
- Standard InChI
- InChI=1S/C14H16N2O2/c1-14(13(18)15-2)9-6-10-16(14)12(17)11-7-4-3-5-8-11/h3-9H,10H2,1-2H3,(H,15,18)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]N2CC=CC2
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 244.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.51
- 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 · 24707977