Molecule card · MolClass #38814
24804019
24804019: 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
- 24804019Mitochondrial Fusion · compound_name
- MolClass ID
- 38814
- InChIKey
- SWHHACCWYGBABA-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)COc1ccccc1C(Nc2cccnc2)c3cc(c4cccnc4(c3(O)))Cl
- Standard InChI
- InChI=1S/C23H18ClN3O4/c24-18-11-17(23(30)22-15(18)7-4-10-26-22)21(27-14-5-3-9-25-12-14)16-6-1-2-8-19(16)31-13-20(28)29/h1-12,21,27,30H,13H2,(H,28,29)
- Stored Murcko scaffold
- n1cccc(c1)NC(c2ccccc2)c3ccc4cccnc4c3
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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 104.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 435.861 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.317
- 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 · 24804019