Molecule card · MolClass #48332
24782246
24782246: 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
- 24782246Mitochondrial Fusion · compound_name
- MolClass ID
- 48332
- InChIKey
- LGIZPOYPERMONI-UHFFFAOYSA-N
- Canonical SMILES
- Fc4ccccc4(Cc3noc(CN2CCCC(CN1CCOCC1)C2)n3)
- Standard InChI
- InChI=1S/C20H27FN4O2/c21-18-6-2-1-5-17(18)12-19-22-20(27-23-19)15-25-7-3-4-16(14-25)13-24-8-10-26-11-9-24/h1-2,5-6,16H,3-4,7-15H2
- Stored Murcko scaffold
- n1oc(nc1Cc2ccccc2)CN3CCCC(C3)CN4CCOCC4
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
- 4
- 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
- 54.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 374.453 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.079
- 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 · 24782246