Molecule card · MolClass #49415
24805580
24805580: 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
- 24805580Mitochondrial Fusion · compound_name
- MolClass ID
- 49415
- InChIKey
- LCCCEXQBOUOSBL-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1ccc(cn1)Cl)C3C(c2ccccc2)C3(Cl)Cl
- Standard InChI
- InChI=1S/C15H11Cl3N2O/c16-10-6-7-11(19-8-10)20-14(21)13-12(15(13,17)18)9-4-2-1-3-5-9/h1-8,12-13H,(H,19,20,21)
- Stored Murcko scaffold
- n1ccccc1N[CH]C2CC2c3ccccc3
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.
- 1643442#18075
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 341.62 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.757
- 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 · 24805580