Molecule card · MolClass #47925
24841530
24841530: 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
- 24841530Mitochondrial Fusion · compound_name
- MolClass ID
- 47925
- InChIKey
- AHFLFLYQURBTCD-GMXABZIVSA-N
- Canonical SMILES
- CCOC1OC(=CC(C)C1(CCCO))C(=O)NC2CC2
- Standard InChI
- InChI=1S/C15H25NO4/c1-3-19-15-12(5-4-8-17)10(2)9-13(20-15)14(18)16-11-6-7-11/h9-12,15,17H,3-8H2,1-2H3,(H,16,18)/t10-,12+,15+/m1/s1
- Stored Murcko scaffold
- O1C([CH]NC2CC2)=CCCC1
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.364 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.868
- 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 · 24841530