Molecule card · MolClass #51348
14746598
14746598: 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
- 14746598Mitochondrial Fusion · compound_name
- MolClass ID
- 51348
- InChIKey
- JHLOJAPUTPOUTJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1cc(ccc1Cl)S(=O)(=O)N2CCOCC2)C(=O)c4c(cc3ccccn34)c5ccccc5
- Standard InChI
- InChI=1S/C26H22ClN3O5S/c27-22-10-9-20(36(33,34)29-12-14-35-15-13-29)17-23(22)28-26(32)25(31)24-21(18-6-2-1-3-7-18)16-19-8-4-5-11-30(19)24/h1-11,16-17H,12-15H2,(H,28,32)
- Stored Murcko scaffold
- O1CCN(Sc2cccc(c2)N[CH][CH]c3c(cc4ccccn43)-c5ccccc5)CC1
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
- 7
- 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
- 105.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 523.99 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.308
- 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 · 14746598