Molecule card · MolClass #52035
4263731
4263731: 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
- 4263731Mitochondrial Fusion · compound_name
- MolClass ID
- 52035
- InChIKey
- LYMFRBIZGHZFCS-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)c(c(C)c1)N2CCN(CC2)S(=O)(=O)N3CCCCCC3
- Standard InChI
- InChI=1S/C19H31N3O2S/c1-16-14-17(2)19(18(3)15-16)20-10-12-22(13-11-20)25(23,24)21-8-6-4-5-7-9-21/h14-15H,4-13H2,1-3H3
- Stored Murcko scaffold
- S(N1CCN(c2ccccc2)CC1)N3CCCCCC3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.535 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.266
- 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 · 4263731