Molecule card · MolClass #35829
24808850
24808850: 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
- 24808850Mitochondrial Fusion · compound_name
- MolClass ID
- 35829
- InChIKey
- TYXFHPUNCQHTBF-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc2C(C)=CC(C)(C)[N+](C)(C)c2(c1)
- Standard InChI
- InChI=1S/C15H22NO/c1-11-10-15(2,3)16(4,5)14-9-12(17-6)7-8-13(11)14/h7-10H,1-6H3/q+1
- Stored Murcko scaffold
- c1ccc2c(c1)C=CC[NH2+]2
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
- 0
- 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
- 9.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 232.342 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.671
- 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 · 24808850