Molecule card · MolClass #35865
24783834
24783834: 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
- 24783834Mitochondrial Fusion · compound_name
- MolClass ID
- 35865
- InChIKey
- UTMXLMJYPPUYLQ-UHFFFAOYSA-N
- Canonical SMILES
- O=[N+]([O-])c1cccc(c1)C2N3CCCN23
- Standard InChI
- InChI=1S/C10H11N3O2/c14-13(15)9-4-1-3-8(7-9)10-11-5-2-6-12(10)11/h1,3-4,7,10H,2,5-6H2
- Stored Murcko scaffold
- c1ccc(cc1)C2N3N2CCC3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 205.214 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.174
- 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 · 24783834