Molecule card · MolClass #51587
14734602
14734602: 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
- 14734602Mitochondrial Fusion · compound_name
- MolClass ID
- 51587
- InChIKey
- DGNBJYUGRWTFRE-UHFFFAOYSA-N
- Canonical SMILES
- CN(CC(=O)ON=C(N)c1cccc(c1)[N+](=O)[O-])S(=O)(=O)c2ccccc2
- Standard InChI
- InChI=1S/C16H16N4O6S/c1-19(27(24,25)14-8-3-2-4-9-14)11-15(21)26-18-16(17)12-6-5-7-13(10-12)20(22)23/h2-10H,11H2,1H3,(H2,17,18)
- Stored Murcko scaffold
- N(O[CH]CNSc1ccccc1)=Cc2ccccc2
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
- 5
- 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
- 153.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 392.388 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.398
- 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 · 14734602