Molecule card · MolClass #48105
24813849
24813849: 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
- 24813849Mitochondrial Fusion · compound_name
- MolClass ID
- 48105
- InChIKey
- KHIHIEIDQMNWKZ-UHFFFAOYSA-N
- Canonical SMILES
- O=C4CC(c1ccccc1)S(=O)(=O)c2ccccc2N4(CC(=O)N3CCCCC3)
- Standard InChI
- InChI=1S/C22H24N2O4S/c25-21-15-20(17-9-3-1-4-10-17)29(27,28)19-12-6-5-11-18(19)24(21)16-22(26)23-13-7-2-8-14-23/h1,3-6,9-12,20H,2,7-8,13-16H2
- Stored Murcko scaffold
- S1c2ccccc2N([CH]CC1c3ccccc3)C[CH]N4CCCCC4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 412.504 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.052
- 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 · 24813849