Molecule card · MolClass #45770
24826574
24826574: 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
- 24826574Mitochondrial Fusion · compound_name
- MolClass ID
- 45770
- InChIKey
- RLEJJFDCZLNWMA-JXMROGBWSA-N
- Canonical SMILES
- O=C2CC(C=Cc1ccc(cc1)Cl)=Nc3ccccc3(N2)
- Standard InChI
- InChI=1S/C17H13ClN2O/c18-13-8-5-12(6-9-13)7-10-14-11-17(21)20-16-4-2-1-3-15(16)19-14/h1-10H,11H2,(H,20,21)/b10-7+
- Stored Murcko scaffold
- N=1c2ccccc2N[CH]CC1C=Cc3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 296.751 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.986
- 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 · 24826574