Molecule card · MolClass #48420
24784904
24784904: 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
- 24784904Mitochondrial Fusion · compound_name
- MolClass ID
- 48420
- InChIKey
- WMOHHZDTARPRNL-UHFFFAOYSA-N
- Canonical SMILES
- CC(CCn1cccn1)NC(=O)c3cc(COc2ccc(F)cc2(F))on3
- Standard InChI
- InChI=1S/C18H18F2N4O3/c1-12(5-8-24-7-2-6-21-24)22-18(25)16-10-14(27-23-16)11-26-17-4-3-13(19)9-15(17)20/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,22,25)
- Stored Murcko scaffold
- n1oc(cc1[CH]NCCCn2nccc2)COc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.358 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.229
- 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 · 24784904