Molecule card · MolClass #42113
24822336
24822336: 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
- 24822336Mitochondrial Fusion · compound_name
- MolClass ID
- 42113
- InChIKey
- CYPJCGXWLXXEHL-UHFFFAOYSA-N
- Canonical SMILES
- O=C3Nc1ccccc1C3(O)(c2ccccc2)
- Standard InChI
- InChI=1S/C14H11NO2/c16-13-14(17,10-6-2-1-3-7-10)11-8-4-5-9-12(11)15-13/h1-9,17H,(H,15,16)
- Stored Murcko scaffold
- c1ccc(cc1)C2[CH]Nc3ccccc32
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 225.243 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.617
- 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 · 24822336