Molecule card · MolClass #49420
24805365
24805365: 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
- 24805365Mitochondrial Fusion · compound_name
- MolClass ID
- 49420
- InChIKey
- NMJNTLKXCOMILO-UHFFFAOYSA-N
- Canonical SMILES
- CC2=[N+](C)c1c3ncccc3(ccc1C2(C)(C))
- Standard InChI
- InChI=1S/C15H17N2/c1-10-15(2,3)12-8-7-11-6-5-9-16-13(11)14(12)17(10)4/h5-9H,1-4H3/q+1
- Stored Murcko scaffold
- n1cccc2ccc3c([NH+]=CC3)c12
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 15.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 225.309 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.501
- 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 · 24805365