Molecule card · MolClass #49757
24783287
24783287: 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
- 24783287Mitochondrial Fusion · compound_name
- MolClass ID
- 49757
- InChIKey
- XOMSYCDCRFEWJS-UHFFFAOYSA-N
- Canonical SMILES
- CCC=3N(C)c2cccc1cccc(c12)[N+]=3(C)
- Standard InChI
- InChI=1S/C15H17N2/c1-4-14-16(2)12-9-5-7-11-8-6-10-13(15(11)12)17(14)3/h5-10H,4H2,1-3H3/q+1
- Stored Murcko scaffold
- c1cc2cccc3[NH+]=CNc(c1)c23
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 6.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 225.309 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.5
- 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 · 24783287