Molecule card · MolClass #41451
24800428
24800428: 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
- 24800428Mitochondrial Fusion · compound_name
- MolClass ID
- 41451
- InChIKey
- OGKBUKCRNOERBZ-UHFFFAOYSA-N
- Canonical SMILES
- COCCCNc1nc3nonc3(nc1N(C)CC2CCCN2(C))
- Standard InChI
- InChI=1S/C15H25N7O2/c1-21-8-4-6-11(21)10-22(2)15-14(16-7-5-9-23-3)17-12-13(18-15)20-24-19-12/h11H,4-10H2,1-3H3,(H,16,17,19)
- Stored Murcko scaffold
- n1onc2nc(cnc12)NCC3NCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.405 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.221
- 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 · 24800428