Molecule card · MolClass #52044
4265248
4265248: 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
- 4265248Mitochondrial Fusion · compound_name
- MolClass ID
- 52044
- InChIKey
- LHDOHFGVTGMBDX-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccccc1N5C(CN2CCN(CC2)C(=O)c3ccco3)=Nc4ccccc4C5(=O)
- Standard InChI
- InChI=1S/C26H26N4O4/c1-2-33-22-11-6-5-10-21(22)30-24(27-20-9-4-3-8-19(20)25(30)31)18-28-13-15-29(16-14-28)26(32)23-12-7-17-34-23/h3-12,17H,2,13-16,18H2,1H3
- Stored Murcko scaffold
- N=1c2ccccc2[CH]N(c3ccccc3)C1CN4CCN([CH]c5occc5)CC4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 458.51 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.353
- 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 · 4265248