Molecule card · MolClass #45739
864856
864856: 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
- 864856Mitochondrial Fusion · compound_name
- MolClass ID
- 45739
- InChIKey
- QCAZAEYHWCNBBL-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C1C(=O)NC(=NC1(C(C)C))N2CCCCC2
- Standard InChI
- InChI=1S/C15H25N3O3/c1-4-21-14(20)11-12(10(2)3)16-15(17-13(11)19)18-8-6-5-7-9-18/h10-12H,4-9H2,1-3H3,(H,16,17,19)
- Stored Murcko scaffold
- N1=C(N[CH]CC1)N2CCCCC2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.378 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.373
- 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 · 864856