Molecule card · MolClass #41855
24781962
24781962: 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
- 24781962Mitochondrial Fusion · compound_name
- MolClass ID
- 41855
- InChIKey
- UORDPQUSPJVMHX-UHFFFAOYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(C1CCCCC1))Cc3ccc(cc3)N4CCNC4(=O)
- Standard InChI
- InChI=1S/C22H34N4O2/c27-15-10-21-17-24(13-14-25(21)19-4-2-1-3-5-19)16-18-6-8-20(9-7-18)26-12-11-23-22(26)28/h6-9,19,21,27H,1-5,10-17H2,(H,23,28)
- Stored Murcko scaffold
- c1cc(ccc1N2[CH]NCC2)CN3CCN(CC3)C4CCCCC4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 386.532 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.756
- 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 · 24781962