Molecule card · MolClass #45276
24799566
24799566: 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
- 24799566Mitochondrial Fusion · compound_name
- MolClass ID
- 45276
- InChIKey
- DFXOOCHGQILSSU-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccc(CN2CCNC(=O)C2(CC(=O)NC1CCCCCC1))o3
- Standard InChI
- InChI=1S/C19H29N3O3/c1-14-8-9-16(25-14)13-22-11-10-20-19(24)17(22)12-18(23)21-15-6-4-2-3-5-7-15/h8-9,15,17H,2-7,10-13H2,1H3,(H,20,24)(H,21,23)
- Stored Murcko scaffold
- o1cccc1CN2CCN[CH]C2C[CH]NC3CCCCCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 347.453 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.498
- 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 · 24799566