Molecule card · MolClass #36558
17507158
17507158: 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
- 17507158Mitochondrial Fusion · compound_name
- MolClass ID
- 36558
- InChIKey
- KAEGOZXQAOCNHK-UHFFFAOYSA-N
- Canonical SMILES
- CC1=CC(C)C2C(=O)N(NC(=O)C2(C1))c3ccccc3
- Standard InChI
- InChI=1S/C16H18N2O2/c1-10-8-11(2)14-13(9-10)15(19)17-18(16(14)20)12-6-4-3-5-7-12/h3-8,11,13-14H,9H2,1-2H3,(H,17,19)
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]C3CC=CCC3[CH]N2
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
- 49.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.327 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.361
- 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 · 17507158