Molecule card · MolClass #49549
24792504
24792504: 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
- 24792504Mitochondrial Fusion · compound_name
- MolClass ID
- 49549
- InChIKey
- KXUGYUOPTUNPBG-UHFFFAOYSA-N
- Canonical SMILES
- Oc1cccc(c1)C(O)CNCc2ccc(cc2)OCc3ccc(cc3Cl)Cl
- Standard InChI
- InChI=1S/C22H21Cl2NO3/c23-18-7-6-17(21(24)11-18)14-28-20-8-4-15(5-9-20)12-25-13-22(27)16-2-1-3-19(26)10-16/h1-11,22,25-27H,12-14H2
- Stored Murcko scaffold
- O(c1ccc(cc1)CNCCc2ccccc2)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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 418.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.101
- 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 · 24792504