Molecule card · MolClass #51442
14742565
14742565: 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
- 14742565Mitochondrial Fusion · compound_name
- MolClass ID
- 51442
- InChIKey
- TYIJSHDAHBAIKY-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)c1ccc(cc1)C2CC(=O)c3cnc(nc3(C2))N4CCc5ccccc5(C4)
- Standard InChI
- InChI=1S/C26H27N3O/c1-17(2)18-7-9-20(10-8-18)22-13-24-23(25(30)14-22)15-27-26(28-24)29-12-11-19-5-3-4-6-21(19)16-29/h3-10,15,17,22H,11-14,16H2,1-2H3
- Stored Murcko scaffold
- n1cc2[CH]CC(c3ccccc3)Cc2nc1N4Cc5ccccc5CC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 397.513 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.127
- 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 · 14742565