Molecule card · MolClass #36739
22413925
22413925: 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
- 22413925Mitochondrial Fusion · compound_name
- MolClass ID
- 36739
- InChIKey
- CYTFCQKMUVKECJ-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)OCC1CCCC2=C(C)C(=O)CCC12(COC(C)=O)
- Standard InChI
- InChI=1S/C17H24O5/c1-11-15-6-4-5-14(9-21-12(2)18)17(15,8-7-16(11)20)10-22-13(3)19/h14H,4-10H2,1-3H3
- Stored Murcko scaffold
- C=1[CH]CCC2C1CCCC2
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.37 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.327
- 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 · 22413925