Molecule card · MolClass #45844
22414605
22414605: 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
- 22414605Mitochondrial Fusion · compound_name
- MolClass ID
- 45844
- InChIKey
- AHIUPZDUWBFBLO-UHFFFAOYSA-N
- Canonical SMILES
- CCn1cc(cn1)C(=O)NC(C)C3CC2CCC3(C2)
- Standard InChI
- InChI=1S/C15H23N3O/c1-3-18-9-13(8-16-18)15(19)17-10(2)14-7-11-4-5-12(14)6-11/h8-12,14H,3-7H2,1-2H3,(H,17,19)
- Stored Murcko scaffold
- n1cc(c[nH]1)[CH]NCC2CC3CCC2C3
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
- 3
- 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
- 46.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.363 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.355
- 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 · 22414605