Molecule card · MolClass #52109
4256574
4256574: 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
- 4256574Mitochondrial Fusion · compound_name
- MolClass ID
- 52109
- InChIKey
- GIAZQHAECZWGPF-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c2cccc(COc1ccc(cc1Cl)Cl)c2)N3CCN(CC3)c4ccccn4
- Standard InChI
- InChI=1S/C23H21Cl2N3O2/c24-19-7-8-21(20(25)15-19)30-16-17-4-3-5-18(14-17)23(29)28-12-10-27(11-13-28)22-6-1-2-9-26-22/h1-9,14-15H,10-13,16H2
- Stored Murcko scaffold
- n1ccccc1N2CCN([CH]c3cccc(c3)COc4ccccc4)CC2
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
- 45.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 442.338 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.845
- 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 · 4256574