Molecule card · MolClass #47065
4248048
4248048: 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
- 4248048Mitochondrial Fusion · compound_name
- MolClass ID
- 47065
- InChIKey
- KLMPYPTZCHNFBZ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(C1CCCN(C1)S(=O)(=O)Cc2ccccc2)N3CCCCC3
- Standard InChI
- InChI=1S/C18H26N2O3S/c21-18(19-11-5-2-6-12-19)17-10-7-13-20(14-17)24(22,23)15-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2
- Stored Murcko scaffold
- S(N1CCCC([CH]N2CCCCC2)C1)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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 350.477 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.814
- 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 · 4248048