Molecule card · MolClass #43592
861201
861201: 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
- 861201Mitochondrial Fusion · compound_name
- MolClass ID
- 43592
- InChIKey
- KEOOBVCBTPKRJN-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCCC(=O)N(O)C2CC(=O)N(Cc1ccccc1)C2(=O)
- Standard InChI
- InChI=1S/C18H24N2O4/c1-2-3-4-8-11-16(21)20(24)15-12-17(22)19(18(15)23)13-14-9-6-5-7-10-14/h5-7,9-10,15,24H,2-4,8,11-13H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)CN2[CH]CC[CH]2
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
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.395 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.741
- 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 · 861201