Molecule card · MolClass #52033
4264270
4264270: 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
- 4264270Mitochondrial Fusion · compound_name
- MolClass ID
- 52033
- InChIKey
- DIKHPAMJLDOPOJ-UHFFFAOYSA-N
- Canonical SMILES
- CCC(=O)N1CCN(CC1)c3ccccc3(NC(=O)COc2cc(C)ccc2(C(C)C))
- Standard InChI
- InChI=1S/C25H33N3O3/c1-5-25(30)28-14-12-27(13-15-28)22-9-7-6-8-21(22)26-24(29)17-31-23-16-19(4)10-11-20(23)18(2)3/h6-11,16,18H,5,12-15,17H2,1-4H3,(H,26,29)
- Stored Murcko scaffold
- [N]1CCN(c2ccccc2N[CH]COc3ccccc3)CC1
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
- 5
- 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
- 61.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 423.549 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.32
- 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 · 4264270