Molecule card · MolClass #44215
24807508
24807508: 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
- 24807508Mitochondrial Fusion · compound_name
- MolClass ID
- 44215
- InChIKey
- SARSEIXSOIASEH-UHFFFAOYSA-N
- Canonical SMILES
- Cc2ncc(n2(CC(=O)NC1CCCCCC1))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C13H20N4O3/c1-10-14-8-13(17(19)20)16(10)9-12(18)15-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,15,18)
- Stored Murcko scaffold
- n1ccn(c1)C[CH]NC2CCCCCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 280.323 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.135
- 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 · 24807508