Molecule card · MolClass #38697
24784180
24784180: 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
- 24784180Mitochondrial Fusion · compound_name
- MolClass ID
- 38697
- InChIKey
- GNKGDKCMGZATGM-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCCn1cc(cn1)[N+](=O)[O-])NC2CCCCCC2
- Standard InChI
- InChI=1S/C14H22N4O3/c19-14(16-12-6-3-1-2-4-7-12)8-5-9-17-11-13(10-15-17)18(20)21/h10-12H,1-9H2,(H,16,19)
- Stored Murcko scaffold
- n1cccn1CCC[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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.35 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.899
- 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 · 24784180