Molecule card · MolClass #45273
4243909
4243909: 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
- 4243909Mitochondrial Fusion · compound_name
- MolClass ID
- 45273
- InChIKey
- GOJCZSMCXCBHHK-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)C1N(CCN1S(=O)(=O)c2ccccc2)C(=O)CN3CCCC3
- Standard InChI
- InChI=1S/C18H27N3O3S/c1-15(2)18-20(17(22)14-19-10-6-7-11-19)12-13-21(18)25(23,24)16-8-4-3-5-9-16/h3-5,8-9,15,18H,6-7,10-14H2,1-2H3
- Stored Murcko scaffold
- S(c1ccccc1)N2CN([CH]CN3CCCC3)CC2
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.492 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.825
- 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 · 4243909