Molecule card · MolClass #40247
7975698
7975698: 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
- 7975698Mitochondrial Fusion · compound_name
- MolClass ID
- 40247
- InChIKey
- IOYNVVSWFGMSNZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc2oc1CCCCc1c2(C(=O)NC(CCSC)C(=O)O)
- Standard InChI
- InChI=1S/C15H21NO4S/c1-9-13(10-5-3-4-6-12(10)20-9)14(17)16-11(15(18)19)7-8-21-2/h11H,3-8H2,1-2H3,(H,16,17)(H,18,19)
- Stored Murcko scaffold
- o1ccc2c1CCCC2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 104.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.398 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.051
- 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 · 7975698