Molecule card · MolClass #48294
22415056
22415056: 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
- 22415056Mitochondrial Fusion · compound_name
- MolClass ID
- 48294
- InChIKey
- ZBCOAVKWIKRCFX-MHWRWJLKSA-N
- Canonical SMILES
- Oc2ccccc2(C=NCC(O)c1ccccc1)
- Standard InChI
- InChI=1S/C15H15NO2/c17-14-9-5-4-8-13(14)10-16-11-15(18)12-6-2-1-3-7-12/h1-10,15,17-18H,11H2/b16-10+
- Stored Murcko scaffold
- N(=Cc1ccccc1)CCc2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 241.286 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.624
- 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 · 22415056