Molecule card · MolClass #47615
24780519
24780519: 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
- 24780519Mitochondrial Fusion · compound_name
- MolClass ID
- 47615
- InChIKey
- IAILDZUHGRJLHV-UHFFFAOYSA-N
- Canonical SMILES
- CN(Cc1ccccc1)C(NC(=O)c2ccco2)C(Cl)(Cl)Cl
- Standard InChI
- InChI=1S/C15H15Cl3N2O2/c1-20(10-11-6-3-2-4-7-11)14(15(16,17)18)19-13(21)12-8-5-9-22-12/h2-9,14H,10H2,1H3,(H,19,21)
- Stored Murcko scaffold
- o1cccc1[CH]NCNCc2ccccc2
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 361.651 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.7
- 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 · 24780519