Molecule card · MolClass #49465
24799778
24799778: 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
- 24799778Mitochondrial Fusion · compound_name
- MolClass ID
- 49465
- InChIKey
- KABKWHJPMHXCKI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)c2ncc(cn2)CN4CCC(CO)(CCCc3ccccc3)CC4
- Standard InChI
- InChI=1S/C27H33N3O/c1-22-7-5-11-25(17-22)26-28-18-24(19-29-26)20-30-15-13-27(21-31,14-16-30)12-6-10-23-8-3-2-4-9-23/h2-5,7-9,11,17-19,31H,6,10,12-16,20-21H2,1H3
- Stored Murcko scaffold
- n1cc(cnc1-c2ccccc2)CN3CCC(CC3)CCCc4ccccc4
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.
- 24786452#49699
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 415.571 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.953
- 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 · 24799778