Molecule card · MolClass #44527
22404793
22404793: 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
- 22404793Mitochondrial Fusion · compound_name
- MolClass ID
- 44527
- InChIKey
- FPADGSJUHCKNND-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)NC(=O)c2cccc1CC(C)(C)Oc12
- Standard InChI
- InChI=1S/C15H21NO2/c1-14(2,3)16-13(17)11-8-6-7-10-9-15(4,5)18-12(10)11/h6-8H,9H2,1-5H3,(H,16,17)
- Stored Murcko scaffold
- O1c2ccccc2CC1
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 247.333 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.365
- 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 · 22404793