Molecule card · MolClass #46763
24784841
24784841: 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
- 24784841Mitochondrial Fusion · compound_name
- MolClass ID
- 46763
- InChIKey
- FNRYHLSDYCKVBS-UHFFFAOYSA-N
- Canonical SMILES
- Fc1ccccc1C2CCN(C2)Cc4nc(COc3ccccc3)no4
- Standard InChI
- InChI=1S/C20H20FN3O2/c21-18-9-5-4-8-17(18)15-10-11-24(12-15)13-20-22-19(23-26-20)14-25-16-6-2-1-3-7-16/h1-9,15H,10-14H2
- Stored Murcko scaffold
- n1oc(nc1COc2ccccc2)CN3CCC(c4ccccc4)C3
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.
- 24782241#46818
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- 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
- 51.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 353.391 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.644
- 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 · 24784841