Molecule card · MolClass #51974
7974946
7974946: 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
- 7974946Mitochondrial Fusion · compound_name
- MolClass ID
- 51974
- InChIKey
- PFSWUAFEZYNSIZ-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)OCC(O)CNCc2ccco2
- Standard InChI
- InChI=1S/C15H19NO4/c1-18-13-4-6-14(7-5-13)20-11-12(17)9-16-10-15-3-2-8-19-15/h2-8,12,16-17H,9-11H2,1H3
- Stored Murcko scaffold
- o1cccc1CNCCCOc2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.316 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.201
- 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 · 7974946