Molecule card · MolClass #39976
24783114
24783114: 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
- 24783114Mitochondrial Fusion · compound_name
- MolClass ID
- 39976
- InChIKey
- VJVXOQXGLLHNMV-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCCn1cc(cn1)[N+](=O)[O-])N2CCCCC2
- Standard InChI
- InChI=1S/C12H18N4O3/c17-12(14-6-2-1-3-7-14)5-4-8-15-10-11(9-13-15)16(18)19/h9-10H,1-8H2
- Stored Murcko scaffold
- n1cccn1CCC[CH]N2CCCCC2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.297 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.508
- 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 · 24783114