Molecule card · MolClass #37954
24794329
24794329: 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
- 24794329Mitochondrial Fusion · compound_name
- MolClass ID
- 37954
- InChIKey
- TUWWZBFZHUQMAI-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cn1ccc(n1)[N+](=O)[O-])N2CCCCC2
- Standard InChI
- InChI=1S/C10H14N4O3/c15-10(12-5-2-1-3-6-12)8-13-7-4-9(11-13)14(16)17/h4,7H,1-3,5-6,8H2
- Stored Murcko scaffold
- n1cccn1C[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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 238.244 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.992
- 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 · 24794329