Molecule card · MolClass #45336
24799162
24799162: 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
- 24799162Mitochondrial Fusion · compound_name
- MolClass ID
- 45336
- InChIKey
- MSEYPSAIWMIAKY-UHFFFAOYSA-N
- Canonical SMILES
- O=C4CCCN4(CC1CCN(CC1)Cc3nc(CC2CC2)no3)
- Standard InChI
- InChI=1S/C17H26N4O2/c22-17-2-1-7-21(17)11-14-5-8-20(9-6-14)12-16-18-15(19-23-16)10-13-3-4-13/h13-14H,1-12H2
- Stored Murcko scaffold
- n1oc(nc1CC2CC2)CN3CCC(CN4[CH]CCC4)CC3
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.415 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.546
- 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 · 24799162