Molecule card · MolClass #42170
24818801
24818801: 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
- 24818801Mitochondrial Fusion · compound_name
- MolClass ID
- 42170
- InChIKey
- SENONULVWRXSKV-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)N3CC3(c2ccncc2)
- Standard InChI
- InChI=1S/C14H14N2O/c1-17-13-4-2-12(3-5-13)16-10-14(16)11-6-8-15-9-7-11/h2-9,14H,10H2,1H3
- Stored Murcko scaffold
- n1ccc(cc1)C2N(c3ccccc3)C2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 25.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 226.274 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.497
- 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 · 24818801