Molecule card · MolClass #36969
14728328
14728328: 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
- 14728328Mitochondrial Fusion · compound_name
- MolClass ID
- 36969
- InChIKey
- BHUFGJNASUNOHC-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C2NCCn3cccc23
- Standard InChI
- InChI=1S/C14H16N2O/c1-17-12-6-4-11(5-7-12)14-13-3-2-9-16(13)10-8-15-14/h2-7,9,14-15H,8,10H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)C2NCCn3cccc32
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 26.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 228.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.089
- 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 · 14728328