Molecule card · MolClass #51264
17386636
17386636: 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
- 17386636Mitochondrial Fusion · compound_name
- MolClass ID
- 51264
- InChIKey
- AIXGNQFHVKZCMK-UHFFFAOYSA-N
- Canonical SMILES
- O=C(COc1ccc(cc1Cl)Cl)N2CCCN(CC2)C(=O)COc3ccc(cc3Cl)Cl
- Standard InChI
- InChI=1S/C21H20Cl4N2O4/c22-14-2-4-18(16(24)10-14)30-12-20(28)26-6-1-7-27(9-8-26)21(29)13-31-19-5-3-15(23)11-17(19)25/h2-5,10-11H,1,6-9,12-13H2
- Stored Murcko scaffold
- O(c1ccccc1)C[CH]N2CCN([CH]COc3ccccc3)CCC2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 506.207 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.928
- 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 · 17386636